sodium 3-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]benzenesulfonate

Systemtic Name: sodium 3-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]benzenesulfonate Openeye Name: sodium 3-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]benzenesulfonate CAS Name: sodium 3-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzenesulfonate IUPAC Name: sodium 3-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzenesulfonate Traditional Name: sodium 3-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]besylate Formula: C15H9NaO4S2 MolecularWeight: 340.34933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC=C3)S(=O)(=O)[O-])S2.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=CC=C3)S(=O)(=O)[O-])/S2.[Na+]

InChI

InChI=1S/C15H10O4S2.Na/c16-15-12-6-1-2-7-13(12)20-14(15)9-10-4-3-5-11(8-10)21(17,18)19;/h1-9H,(H,17,18,19);/q;+1/p-1/b14-9+;