6,7-bis(methylsulfonyloxy)naphthalene-1-sulfonic acid

Systemtic Name: 6,7-bis(methylsulfonyloxy)naphthalene-1-sulfonic acid Openeye Name: 6,7-bis(methylsulfonyloxy)naphthalene-1-sulfonic acid CAS Name: 6,7-bis(methylsulfonyloxy)-1-naphthalenesulfonic acid IUPAC Name: 6,7-bis(methylsulfonyloxy)naphthalene-1-sulfonic acid Traditional Name: 6,7-bis(methylsulfonyloxy)naphthalene-1-sulfonic acid Formula: C12H12O9S3 MolecularWeight: 396.41328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C2C(=C1)C=CC=C2S(=O)(=O)O)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C2C(=C1)C=CC=C2S(=O)(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C12H12O9S3/c1-22(13,14)20-10-6-8-4-3-5-12(24(17,18)19)9(8)7-11(10)21-23(2,15)16/h3-7H,1-2H3,(H,17,18,19)