[6-dimethoxyphosphoryloxy-2,5-bis(oxidanylidene)-3,4-bis(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [6-dimethoxyphosphoryloxy-2,5-bis(oxidanylidene)-3,4-bis(phenylcarbonyloxy)hexyl] benzoate Openeye Name: (3,4-dibenzoyloxy-6-dimethoxyphosphoryloxy-2,5-dioxo-hexyl) benzoate CAS Name: benzoic acid (3,4-dibenzoyloxy-6-dimethoxyphosphoryloxy-2,5-dioxohexyl) ester IUPAC Name: (3,4-dibenzoyloxy-6-dimethoxyphosphoryloxy-2,5-dioxohexyl) benzoate Traditional Name: benzoic acid (3,4-dibenzoyloxy-6-dimethoxyphosphoryloxy-2,5-diketo-hexyl) ester Formula: C29H27O12P MolecularWeight: 598.491241

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(OC)OCC(=O)C(C(C(=O)COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COP(=O)(OC)OCC(=O)C(C(C(=O)COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H27O12P/c1-36-42(35,37-2)39-19-24(31)26(41-29(34)22-16-10-5-11-17-22)25(40-28(33)21-14-8-4-9-15-21)23(30)18-38-27(32)20-12-6-3-7-13-20/h3-17,25-26H,18-19H2,1-2H3