[1-dimethoxyphosphoryl-2-oxidanyl-5-oxidanylidene-4-(phenylcarbonyloxy)-6-phenylmethoxy-hexan-3-yl] benzoate

Systemtic Name: [1-dimethoxyphosphoryl-2-oxidanyl-5-oxidanylidene-4-(phenylcarbonyloxy)-6-phenylmethoxy-hexan-3-yl] benzoate Openeye Name: [2-benzoyloxy-4-benzyloxy-1-(2-dimethoxyphosphoryl-1-hydroxy-ethyl)-3-oxo-butyl] benzoate CAS Name: benzoic acid (4-benzoyloxy-1-dimethoxyphosphoryl-2-hydroxy-5-oxo-6-phenylmethoxyhexan-3-yl) ester IUPAC Name: (4-benzoyloxy-1-dimethoxyphosphoryl-2-hydroxy-5-oxo-6-phenylmethoxyhexan-3-yl) benzoate Traditional Name: benzoic acid [4-benzoxy-2-benzoyloxy-1-(2-dimethoxyphosphoryl-1-hydroxy-ethyl)-3-keto-butyl] ester Formula: C29H31O10P MolecularWeight: 570.524201

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC(C(C(C(=O)COCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)OC

Isomeric SMILES

COP(=O)(CC(C(C(C(=O)COCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)OC

InChI

InChI=1S/C29H31O10P/c1-35-40(34,36-2)20-25(31)27(39-29(33)23-16-10-5-11-17-23)26(38-28(32)22-14-8-4-9-15-22)24(30)19-37-18-21-12-6-3-7-13-21/h3-17,25-27,31H,18-20H2,1-2H3