2,3-bis(oxidanyl)propyl (Z)-docos-13-enoate; (Z)-docos-13-enoate

Systemtic Name: 2,3-bis(oxidanyl)propyl (Z)-docos-13-enoate; (Z)-docos-13-enoate Openeye Name: 2,3-dihydroxypropyl (Z)-docos-13-enoate; (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoate; (Z)-13-docosenoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl (Z)-docos-13-enoate; (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoate; (Z)-docos-13-enoic acid glyceryl ester Formula: C69H130O8-2 MolecularWeight: 1087.7657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC(CO)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(O)CO

InChI

InChI=1S/C25H48O4.2C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,24,26-27H,2-8,11-23H2,1H3;2*9-10H,2-8,11-21H2,1H3,(H,23,24)/p-2/b3*10-9-