sodium 2-oxidanylidene-2-[4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl]ethanesulfonate

Systemtic Name: sodium 2-oxidanylidene-2-[4-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl]ethanesulfonate Openeye Name: sodium 2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]ethanesulfonate CAS Name: sodium 2-oxo-2-[4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]ethanesulfonate IUPAC Name: sodium 2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]ethanesulfonate Traditional Name: sodium 2-keto-2-[4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]ethanesulfonate Formula: C18H18NNaO8S MolecularWeight: 431.39219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO8S.Na/c1-25-15-8-12(9-16(26-2)17(15)27-3)18(21)19-13-6-4-11(5-7-13)14(20)10-28(22,23)24;/h4-9H,10H2,1-3H3,(H,19,21)(H,22,23,24);/q;+1/p-1