314025 <common-name>3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonic acid</common-name> <description>3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonic acid is a chemical compound with the formula C18H24O6S2. It has an average molecular weight of 400.50 g/mol.</description> <cas nil="true"/> <pubchem-id>18690573</pubchem-id> <chemical-formula>C18H24O6S2</chemical-formula> <weight>400.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T10:59:47Z</created-at> <updated-at type="dateTime">2026-08-29T10:59:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)CC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)O)S(=O)(=O)O)CC(C)C</moldb-smiles> <moldb-formula>C18H24O6S2</moldb-formula> <moldb-inchi>InChI=1S/C18H24O6S2/c1-11(2)9-15-13-7-5-6-8-14(13)17(25(19,20)21)18(26(22,23)24)16(15)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,20,21)(H,22,23,24)</moldb-inchi> <moldb-inchikey>BWPNUVAARQQPSZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">400.1014308</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM309918</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3,4-bis(2-methylpropyl)naphthalene-1,2-disulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0264924</sync-id> <structure-inchikey>BWPNUVAARQQPSZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000001800000000000000000000000000000000000000000000000001000000000000000020000000080000000000002000000000000000000000000000000000000008000000020000020000000000000000000000000000000000000010000000000020000000400000000000000000000000000000200040000000040000000800000000000000000000000000100000000000000000000000000000000000000040000082000000000000000000000080000000000000000000000040000000000000000400000000000001000000000000200000000000000000000000100000040000004000000000000000000000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQQACAAAAAGCAAoAAAAAwIIACgAAAADAggAYAAAAAEBEAAg AAAABggAKAAAAAMCCAAoAAAAAwIIAGAAAAABAQYAYAAAAAICBgBgAAAAAwEG AGAAAAABAwYAYAAAAAEDCwABAAECAAEDAAMEAAQFaAwFBmgMBgdoDAcIaAwI CWgMCQpoDAoLaAwLDGgMDA1oDAcOAA4PCAIOEAgCDhEABhIAEhMIAhIUCAIS FQAFFgAWFwAXGAAXGQANBGgMDQhoDEICAAAABgQNCAcGBQYJCgsMDQgXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:33Z</structure-indexed-at> </compound>