(E)-1-phenyl-7-sulfanyl-hept-1-ene-4-sulfonic acid

Systemtic Name: (E)-1-phenyl-7-sulfanyl-hept-1-ene-4-sulfonic acid Openeye Name: (E)-1-phenyl-7-sulfanyl-hept-1-ene-4-sulfonic acid CAS Name: (E)-7-mercapto-1-phenyl-1-heptene-4-sulfonic acid IUPAC Name: (E)-1-phenyl-7-sulfanylhept-1-ene-4-sulfonic acid Traditional Name: (E)-7-mercapto-1-phenyl-hept-1-ene-4-sulfonic acid Formula: C13H18O3S2 MolecularWeight: 286.41022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC(CCCS)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CC(CCCS)S(=O)(=O)O

InChI

InChI=1S/C13H18O3S2/c14-18(15,16)13(10-5-11-17)9-4-8-12-6-2-1-3-7-12/h1-4,6-8,13,17H,5,9-11H2,(H,14,15,16)/b8-4+