13-[3-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]-3-oxidanylidene-prop-1-en-2-yl]pentacosanedioic acid

Systemtic Name: 13-[3-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]-3-oxidanylidene-prop-1-en-2-yl]pentacosanedioic acid Openeye Name: 13-[1-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonylvinyl]pentacosanedioic acid CAS Name: 13-[3-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-3-oxoprop-1-en-2-yl]pentacosanedioic acid IUPAC Name: 13-[3-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-3-oxoprop-1-en-2-yl]pentacosanedioic acid Traditional Name: 13-[1-(3-hydroxy-2,2-dimethylol-propoxy)carbonylvinyl]pentacosanedioic acid Formula: C33H60O9 MolecularWeight: 600.8241

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO

Isomeric SMILES

C=C(C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C33H60O9/c1-28(32(41)42-27-33(24-34,25-35)26-36)29(20-16-12-8-4-2-6-10-14-18-22-30(37)38)21-17-13-9-5-3-7-11-15-19-23-31(39)40/h29,34-36H,1-27H2,(H,37,38)(H,39,40)