sodium 4-[(E)-3-phenylprop-2-enoyl]benzenesulfonate

Systemtic Name: sodium 4-[(E)-3-phenylprop-2-enoyl]benzenesulfonate Openeye Name: sodium 4-[(E)-3-phenylprop-2-enoyl]benzenesulfonate CAS Name: sodium 4-[(E)-1-oxo-3-phenylprop-2-enyl]benzenesulfonate IUPAC Name: sodium 4-[(E)-3-phenylprop-2-enoyl]benzenesulfonate Traditional Name: sodium 4-[(E)-3-phenylacryloyl]besylate Formula: C15H11NaO4S MolecularWeight: 310.30021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O4S.Na/c16-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)20(17,18)19;/h1-11H,(H,17,18,19);/q;+1/p-1/b11-6+;