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

Systemtic Name: 15-[1,2-bis(oxidanyl)ethyl]-15-oxidanyl-nonacosane-14,16-dione; phosphonato phosphate Openeye Name: 15-(1,2-dihydroxyethyl)-15-hydroxy-nonacosane-14,16-dione; phosphonato phosphate CAS Name: 15-(1,2-dihydroxyethyl)-15-hydroxynonacosane-14,16-dione; phosphonato phosphate IUPAC Name: 15-(1,2-dihydroxyethyl)-15-hydroxynonacosane-14,16-dione; phosphonato phosphate Traditional Name: 15-(1,2-dihydroxyethyl)-15-hydroxy-nonacosane-14,16-dione; phosphonato phosphate Formula: C31H60O12P2-4 MolecularWeight: 686.748422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60O5.H4O7P2/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;1-8(2,3)7-9(4,5)6/h30,32,35-36H,3-27H2,1-2H3;(H2,1,2,3)(H2,4,5,6)/p-4