sodium (1E)-1-phenylbuta-1,3-diene-2-sulfonate

Systemtic Name: sodium (1E)-1-phenylbuta-1,3-diene-2-sulfonate Openeye Name: sodium (1E)-1-phenylbuta-1,3-diene-2-sulfonate CAS Name: sodium (1E)-1-phenyl-2-buta-1,3-dienesulfonate IUPAC Name: sodium (1E)-1-phenylbuta-1,3-diene-2-sulfonate Traditional Name: sodium (1E)-1-phenylbuta-1,3-diene-2-sulfonate Formula: C10H9NaO3S MolecularWeight: 232.23143

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=CC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C10H10O3S.Na/c1-2-10(14(11,12)13)8-9-6-4-3-5-7-9;/h2-8H,1H2,(H,11,12,13);/q;+1/p-1/b10-8+;