15-[1,2-bis(oxidanyl)ethyl]-15-oxidanyl-nonacosane-14,16-dione diphosphate

Systemtic Name: 15-[1,2-bis(oxidanyl)ethyl]-15-oxidanyl-nonacosane-14,16-dione diphosphate Openeye Name: 15-(1,2-dihydroxyethyl)-15-hydroxy-nonacosane-14,16-dione diphosphate CAS Name: 15-(1,2-dihydroxyethyl)-15-hydroxynonacosane-14,16-dione diphosphate IUPAC Name: 15-(1,2-dihydroxyethyl)-15-hydroxynonacosane-14,16-dione diphosphate Traditional Name: 15-(1,2-dihydroxyethyl)-15-hydroxy-nonacosane-14,16-dione diphosphate Formula: C31H60O13P2-6 MolecularWeight: 702.747822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(CO)O)(C(=O)CCCCCCCCCCCCC)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(CO)O)(C(=O)CCCCCCCCCCCCC)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C31H60O5.2H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(33)31(36,30(35)27-32)29(34)26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-5(2,3)4/h30,32,35-36H,3-27H2,1-2H3;2*(H3,1,2,3,4)/p-6