sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; (E)-2-phenylethenesulfonate

Systemtic Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; (E)-2-phenylethenesulfonate Openeye Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; (E)-2-phenylethenesulfonate CAS Name: sodium; (1Z,3E)-1,4-diphenyl-2-buta-1,3-dienesulfonic acid; (E)-2-phenylethenesulfonate IUPAC Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; (E)-2-phenylethenesulfonate Traditional Name: sodium; (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonic acid; (E)-2-phenylethenesulfonate Formula: C24H21NaO6S2 MolecularWeight: 492.53971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=CC2=CC=CC=C2)S(=O)(=O)O.C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H14O3S.C8H8O3S.Na/c17-20(18,19)16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14;9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-13H,(H,17,18,19);1-7H,(H,9,10,11);/q;;+1/p-1/b12-11+,16-13-;7-6+;