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

Systemtic Name: 9-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-9-(8-oxidanidyl-8-oxidanylidene-octyl)heptadecanedioate Openeye Name: 9-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-9-(8-oxido-8-oxo-octyl)heptadecanedioate CAS Name: 9-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-9-(8-oxido-8-oxooctyl)heptadecanedioate IUPAC Name: 9-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-9-(8-oxido-8-oxooctyl)heptadecanedioate Traditional Name: 9-(3-hydroxy-2,2-dimethylol-propyl)-9-(8-keto-8-oxido-octyl)heptadecanedioate Formula: C30H53O9-3 MolecularWeight: 557.73642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56O9/c31-23-30(24-32,25-33)22-29(19-13-7-1-4-10-16-26(34)35,20-14-8-2-5-11-17-27(36)37)21-15-9-3-6-12-18-28(38)39/h31-33H,1-25H2,(H,34,35)(H,36,37)(H,38,39)/p-3