4-[2,3-bis(oxidanyl)propanoyl]-2-oxidanyl-henicosane-1,2,3-tricarboxylate

Systemtic Name: 4-[2,3-bis(oxidanyl)propanoyl]-2-oxidanyl-henicosane-1,2,3-tricarboxylate Openeye Name: 4-(2,3-dihydroxypropanoyl)-2-hydroxy-henicosane-1,2,3-tricarboxylate CAS Name: 4-(2,3-dihydroxy-1-oxopropyl)-2-hydroxyheneicosane-1,2,3-tricarboxylate IUPAC Name: 4-(2,3-dihydroxypropanoyl)-2-hydroxyhenicosane-1,2,3-tricarboxylate Traditional Name: 4-glyceroyl-2-hydroxy-heneicosane-1,2,3-tricarboxylate Formula: C27H45O10-3 MolecularWeight: 529.6402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O)C(=O)C(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O)C(=O)C(CO)O

InChI

InChI=1S/C27H48O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24(32)21(29)19-28)23(25(33)34)27(37,26(35)36)18-22(30)31/h20-21,23,28-29,37H,2-19H2,1H3,(H,30,31)(H,33,34)(H,35,36)/p-3