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

Systemtic Name: 9-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-9-(8-oxidanyl-8-oxidanylidene-octyl)heptadecanedioic acid Openeye Name: 9-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-9-(8-hydroxy-8-oxo-octyl)heptadecanedioic acid CAS Name: 9-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-9-(8-hydroxy-8-oxooctyl)heptadecanedioic acid IUPAC Name: 9-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-9-(8-hydroxy-8-oxooctyl)heptadecanedioic acid Traditional Name: 9-(3-hydroxy-2,2-dimethylol-propyl)-9-(8-hydroxy-8-keto-octyl)heptadecanedioic acid Formula: C30H56O9 MolecularWeight: 560.76024

Click to see the large picture

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)