methyl 8,9-bis(hydroxymethyl)-12-oxidanyl-heptadeca-5,10-dienoate

Systemtic Name: methyl 8,9-bis(hydroxymethyl)-12-oxidanyl-heptadeca-5,10-dienoate Openeye Name: methyl 12-hydroxy-8,9-bis(hydroxymethyl)heptadeca-5,10-dienoate CAS Name: 12-hydroxy-8,9-bis(hydroxymethyl)heptadeca-5,10-dienoic acid methyl ester IUPAC Name: methyl 12-hydroxy-8,9-bis(hydroxymethyl)heptadeca-5,10-dienoate Traditional Name: 12-hydroxy-8,9-dimethylol-heptadeca-5,10-dienoic acid methyl ester Formula: C20H36O5 MolecularWeight: 356.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC(CO)C(CC=CCCCC(=O)OC)CO)O

Isomeric SMILES

CCCCCC(C=CC(CO)C(CC=CCCCC(=O)OC)CO)O

InChI

InChI=1S/C20H36O5/c1-3-4-7-11-19(23)14-13-18(16-22)17(15-21)10-8-5-6-9-12-20(24)25-2/h5,8,13-14,17-19,21-23H,3-4,6-7,9-12,15-16H2,1-2H3