sodium (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonate

Systemtic Name: sodium (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonate Openeye Name: sodium (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonate CAS Name: sodium (1Z,3E)-1,4-diphenyl-2-buta-1,3-dienesulfonate IUPAC Name: sodium (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonate Traditional Name: sodium (1Z,3E)-1,4-diphenylbuta-1,3-diene-2-sulfonate Formula: C16H13NaO3S MolecularWeight: 308.32739

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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-].[Na+]

Isomeric SMILES

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

InChI

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