sodium 2-[(4-hydroxyphenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-yl)methyl]benzenesulfonate

Systemtic Name: sodium 2-[(4-hydroxyphenyl)-(4-oxidanylidenecyclohexa-2,5-dien-1-yl)methyl]benzenesulfonate Openeye Name: sodium 2-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-yl)methyl]benzenesulfonate CAS Name: sodium 2-[(4-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienyl)methyl]benzenesulfonate IUPAC Name: sodium 2-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-yl)methyl]benzenesulfonate Traditional Name: sodium 2-[(4-hydroxyphenyl)-(4-ketocyclohexa-2,5-dien-1-yl)methyl]besylate Formula: C19H15NaO5S MolecularWeight: 378.37417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H16O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24;/h1-13,19,21H,(H,22,23,24);/q;+1/p-1