3-(2-sulfooxyethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-(2-sulfooxyethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-(2-sulfooxyethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-(2-sulfooxyethylsulfonyl)-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-(2-sulfooxyethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-(2-sulfoxyethylsulfonyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C8H12O9S3 MolecularWeight: 348.37048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H12O9S3/c9-18(10,5-4-17-20(14,15)16)7-2-1-3-8(6-7)19(11,12)13/h2,6H,1,3-5H2,(H,11,12,13)(H,14,15,16)