sodium (E)-5-methyl-2-phenyl-oct-5-ene-4-sulfonate

Systemtic Name: sodium (E)-5-methyl-2-phenyl-oct-5-ene-4-sulfonate Openeye Name: sodium (E)-5-methyl-2-phenyl-oct-5-ene-4-sulfonate CAS Name: sodium (E)-5-methyl-2-phenyl-5-octene-4-sulfonate IUPAC Name: sodium (E)-5-methyl-2-phenyloct-5-ene-4-sulfonate Traditional Name: sodium (E)-5-methyl-2-phenyl-oct-5-ene-4-sulfonate Formula: C15H21NaO3S MolecularWeight: 304.38021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3S.Na/c1-4-8-12(2)15(19(16,17)18)11-13(3)14-9-6-5-7-10-14;/h5-10,13,15H,4,11H2,1-3H3,(H,16,17,18);/q;+1/p-1/b12-8+;