sodium [2-methoxy-5-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] hydrogen phosphate

Systemtic Name: sodium [2-methoxy-5-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] hydrogen phosphate Openeye Name: sodium [2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl] hydrogen phosphate CAS Name: sodium [2-methoxy-5-[oxo-(3,4,5-trimethoxyphenyl)methyl]phenyl] hydrogen phosphate IUPAC Name: sodium [2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl] hydrogen phosphate Traditional Name: sodium [2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl] hydrogen phosphate Formula: C17H18NaO9P MolecularWeight: 420.282951

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H19O9P.Na/c1-22-12-6-5-10(7-13(12)26-27(19,20)21)16(18)11-8-14(23-2)17(25-4)15(9-11)24-3;/h5-9H,1-4H3,(H2,19,20,21);/q;+1/p-1