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

Systemtic Name: 4-[2,3-bis(oxidanyl)propanoyl]-2-oxidanyl-henicosane-1,2,3-tricarboxylic acid Openeye Name: 4-(2,3-dihydroxypropanoyl)-2-hydroxy-henicosane-1,2,3-tricarboxylic acid CAS Name: 4-(2,3-dihydroxy-1-oxopropyl)-2-hydroxyheneicosane-1,2,3-tricarboxylic acid IUPAC Name: 4-(2,3-dihydroxypropanoyl)-2-hydroxyhenicosane-1,2,3-tricarboxylic acid Traditional Name: 4-glyceroyl-2-hydroxy-heneicosane-1,2,3-tricarboxylic acid Formula: C27H48O10 MolecularWeight: 532.66402

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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)