9-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-9-(8-oxidanidyl-8-oxidanylidene-octyl)heptadecanedioate

Systemtic Name: 9-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-9-(8-oxidanidyl-8-oxidanylidene-octyl)heptadecanedioate Openeye Name: 9-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-9-(8-oxido-8-oxo-octyl)heptadecanedioate CAS Name: 9-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-(8-oxido-8-oxooctyl)heptadecanedioate IUPAC Name: 9-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-(8-oxido-8-oxooctyl)heptadecanedioate Traditional Name: 9-(2-hydroxy-1,1-dimethylol-ethyl)-9-(8-keto-8-oxido-octyl)heptadecanedioate Formula: C29H51O9-3 MolecularWeight: 543.70984

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)[O-])CCCC(CCCCCCCC(=O)[O-])(CCCCCCCC(=O)[O-])C(CO)(CO)CO

Isomeric SMILES

C(CCCC(=O)[O-])CCCC(CCCCCCCC(=O)[O-])(CCCCCCCC(=O)[O-])C(CO)(CO)CO

InChI

InChI=1S/C29H54O9/c30-22-29(23-31,24-32)28(19-13-7-1-4-10-16-25(33)34,20-14-8-2-5-11-17-26(35)36)21-15-9-3-6-12-18-27(37)38/h30-32H,1-24H2,(H,33,34)(H,35,36)(H,37,38)/p-3