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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(24(33)34,23(32)21(29)20-28)27(37,25(35)36)19-22(30)31/h21,28-29,37H,2-20H2,1H3,(H,30,31)(H,33,34)(H,35,36)/p-3