2-hydroxyethyl (Z,12R)-12-oxidanyloctadec-9-enoate; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Systemtic Name: 2-hydroxyethyl (Z,12R)-12-oxidanyloctadec-9-enoate; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Openeye Name: 2-hydroxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene CAS Name: (Z,12R)-12-hydroxy-9-octadecenoic acid 2-hydroxyethyl ester; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene IUPAC Name: 2-hydroxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene Traditional Name: (Z,12R)-12-hydroxyoctadec-9-enoic acid 2-hydroxyethyl ester; 1-isocyanato-4-(4-isocyanatobenzyl)benzene Formula: C35H48N2O6 MolecularWeight: 592.76542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCO)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCO)O.C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

InChI

InChI=1S/C20H38O4.C15H10N2O2/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21;18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h9,12,19,21-22H,2-8,10-11,13-18H2,1H3;1-8H,9H2/b12-9-;/t19-;/m1./s1