[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] (Z,12R)-12-oxidanyloctadec-9-enoate; 1,3-diisocyanato-2-methyl-benzene

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] (Z,12R)-12-oxidanyloctadec-9-enoate; 1,3-diisocyanato-2-methyl-benzene Openeye Name: 1,3-diisocyanato-2-methyl-benzene; [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate CAS Name: 1,3-diisocyanato-2-methylbenzene; (Z,12R)-12-hydroxy-9-octadecenoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: 1,3-diisocyanato-2-methylbenzene; [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z,12R)-12-hydroxyoctadec-9-enoate Traditional Name: 1,3-diisocyanato-2-methyl-benzene; (Z,12R)-12-hydroxyoctadec-9-enoic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C32H50N2O8 MolecularWeight: 590.748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)(CO)CO)O.CC1=C(C=CC=C1N=C=O)N=C=O

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO)O.CC1=C(C=CC=C1N=C=O)N=C=O

InChI

InChI=1S/C23H44O6.C9H6N2O2/c1-2-3-4-11-14-21(27)15-12-9-7-5-6-8-10-13-16-22(28)29-20-23(17-24,18-25)19-26;1-7-8(10-5-12)3-2-4-9(7)11-6-13/h9,12,21,24-27H,2-8,10-11,13-20H2,1H3;2-4H,1H3/b12-9-;/t21-;/m1./s1