sodium (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonate

Systemtic Name: sodium (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonate Openeye Name: sodium (E)-2-(4-isobutylphenyl)ethenesulfonate CAS Name: sodium (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonate IUPAC Name: sodium (E)-2-[4-(2-methylpropyl)phenyl]ethenesulfonate Traditional Name: sodium (E)-2-(4-isobutylphenyl)ethenesulfonate Formula: C12H15NaO3S MolecularWeight: 262.30047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S.Na/c1-10(2)9-12-5-3-11(4-6-12)7-8-16(13,14)15;/h3-8,10H,9H2,1-2H3,(H,13,14,15);/q;+1/p-1/b8-7+;