[3-methoxy-2-phosphonooxy-6-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] dihydrogen phosphate; sodium

Systemtic Name: [3-methoxy-2-phosphonooxy-6-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] dihydrogen phosphate; sodium Openeye Name: [3-methoxy-2-phosphonooxy-6-(3,4,5-trimethoxybenzoyl)phenyl] dihydrogen phosphate; sodium CAS Name: [3-methoxy-6-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-phosphonooxyphenyl] dihydrogen phosphate; sodium IUPAC Name: [3-methoxy-2-phosphonooxy-6-(3,4,5-trimethoxybenzoyl)phenyl] dihydrogen phosphate; sodium Traditional Name: [3-methoxy-2-phosphonooxy-6-(3,4,5-trimethoxybenzoyl)phenyl] dihydrogen phosphate; sodium Formula: C17H20NaO13P2 MolecularWeight: 517.270192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O)OP(=O)(O)O.[Na]

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O)OP(=O)(O)O.[Na]

InChI

InChI=1S/C17H20O13P2.Na/c1-25-11-6-5-10(15(29-31(19,20)21)17(11)30-32(22,23)24)14(18)9-7-12(26-2)16(28-4)13(8-9)27-3;/h5-8H,1-4H3,(H2,19,20,21)(H2,22,23,24);