(E)-7-phenylhept-3-ene-1-sulfonic acid

Systemtic Name: (E)-7-phenylhept-3-ene-1-sulfonic acid Openeye Name: (E)-7-phenylhept-3-ene-1-sulfonic acid CAS Name: (E)-7-phenyl-3-heptene-1-sulfonic acid IUPAC Name: (E)-7-phenylhept-3-ene-1-sulfonic acid Traditional Name: (E)-7-phenylhept-3-ene-1-sulfonic acid Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC=CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC/C=C/CCS(=O)(=O)O

InChI

InChI=1S/C13H18O3S/c14-17(15,16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,14,15,16)/b3-1+