sodium 4-(7-methoxy-2-oxidanylidene-chromen-3-yl)carbonylbenzenesulfonate

Systemtic Name: sodium 4-(7-methoxy-2-oxidanylidene-chromen-3-yl)carbonylbenzenesulfonate Openeye Name: sodium 4-(7-methoxy-2-oxo-chromene-3-carbonyl)benzenesulfonate CAS Name: sodium 4-[(7-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]benzenesulfonate IUPAC Name: sodium 4-(7-methoxy-2-oxochromene-3-carbonyl)benzenesulfonate Traditional Name: sodium 4-(2-keto-7-methoxy-chromene-3-carbonyl)besylate Formula: C17H11NaO7S MolecularWeight: 382.31981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H12O7S.Na/c1-23-12-5-2-11-8-14(17(19)24-15(11)9-12)16(18)10-3-6-13(7-4-10)25(20,21)22;/h2-9H,1H3,(H,20,21,22);/q;+1/p-1