7-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-7-(6-oxidanyl-6-oxidanylidene-hexyl)tridecanedioic acid

Systemtic Name: 7-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-7-(6-oxidanyl-6-oxidanylidene-hexyl)tridecanedioic acid Openeye Name: 7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-7-(6-hydroxy-6-oxo-hexyl)tridecanedioic acid CAS Name: 7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-7-(6-hydroxy-6-oxohexyl)tridecanedioic acid IUPAC Name: 7-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-7-(6-hydroxy-6-oxohexyl)tridecanedioic acid Traditional Name: 7-(3-hydroxy-2,2-dimethylol-propyl)-7-(6-hydroxy-6-keto-hexyl)brassylic acid Formula: C24H44O9 MolecularWeight: 476.60076

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CCC(CCCCCC(=O)O)(CCCCCC(=O)O)CC(CO)(CO)CO

Isomeric SMILES

C(CCC(=O)O)CCC(CCCCCC(=O)O)(CCCCCC(=O)O)CC(CO)(CO)CO

InChI

InChI=1S/C24H44O9/c25-17-24(18-26,19-27)16-23(13-7-1-4-10-20(28)29,14-8-2-5-11-21(30)31)15-9-3-6-12-22(32)33/h25-27H,1-19H2,(H,28,29)(H,30,31)(H,32,33)