9-(3,4-dicarboxy-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-10-methyl-octadecanedioate

Systemtic Name: 9-(3,4-dicarboxy-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-10-methyl-octadecanedioate Openeye Name: 9-methyl-10-(1,2,3-tricarboxypentyl)octadecanedioate CAS Name: 9-(3,4-dicarboxy-1-hydroxy-1-oxohexan-2-yl)-10-methyloctadecanedioate IUPAC Name: 9-(3,4-dicarboxy-1-hydroxy-1-oxohexan-2-yl)-10-methyloctadecanedioate Traditional Name: 9-methyl-10-(1,2,3-tricarboxypentyl)octadecanedioate Formula: C27H44O10-2 MolecularWeight: 528.63226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(CCCCCCCC(=O)[O-])C(C)CCCCCCCC(=O)[O-])C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C(C(C(CCCCCCCC(=O)[O-])C(C)CCCCCCCC(=O)[O-])C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H46O10/c1-3-19(25(32)33)23(26(34)35)24(27(36)37)20(15-11-7-5-9-13-17-22(30)31)18(2)14-10-6-4-8-12-16-21(28)29/h18-20,23-24H,3-17H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/p-2