3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid

Systemtic Name: 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid Openeye Name: 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid CAS Name: 3-(1-cyclohexa-1,3-dienyloxy)-1-propanesulfonic acid IUPAC Name: 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid Traditional Name: 3-cyclohexa-1,3-dien-1-yloxypropane-1-sulfonic acid Formula: C9H14O4S MolecularWeight: 218.27006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)OCCCS(=O)(=O)O

Isomeric SMILES

C1CC(=CC=C1)OCCCS(=O)(=O)O

InChI

InChI=1S/C9H14O4S/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9/h1-2,5H,3-4,6-8H2,(H,10,11,12)