Mrv1572004191601132D 21 22 0 0 0 0 999 V2000 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 12 1 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 13 8 2 0 0 0 0 14 3 2 0 0 0 0 14 7 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 15 8 1 0 0 0 0 15 9 1 0 0 0 0 16 5 2 0 0 0 0 16 12 1 0 0 0 0 17 6 2 0 0 0 0 17 13 1 0 0 0 0 18 10 2 0 0 0 0 18 16 1 0 0 0 0 19 11 2 0 0 0 0 19 17 1 0 0 0 0 20 10 2 0 0 0 0 21 11 2 0 0 0 0 M END > CHEM004199 > chemdb > CC1=CC(CC2=CC=C(N=C=O)C(C)=C2)=CC=C1N=C=O > InChI=1S/C17H14N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15/h3-8H,9H2,1-2H3 > DTZHXCBUWSTOPO-UHFFFAOYSA-N > C17H14N2O2 > 278.311 > 278.105527699 > 4 > 35 > 29.567095796496325 > 1 > 0 > 0 > 1 > 1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene > 3.75 > 4.910993907 > -4.48 > 0 > 2 > 0 > -1.2489172409864482 > 58.86 > 84.0216 > 4 > 1 > 9.22e-03 g/l > 1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene > 0 > 3,3'-Dimethyldiphenylmethane-4,4'-diisocyanate > 139-25-3 $$$$