3-methyl-4-(methylamino)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3-methyl-4-(methylamino)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-methyl-4-(methylamino)cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-methyl-4-(methylamino)-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-methyl-4-(methylamino)cyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3-methyl-4-(methylamino)cyclohexa-1,5-diene-1-sulfonic acid Formula: C8H13NO3S MolecularWeight: 203.25872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=CC1NC)S(=O)(=O)O

Isomeric SMILES

CC1C=C(C=CC1NC)S(=O)(=O)O

InChI

InChI=1S/C8H13NO3S/c1-6-5-7(13(10,11)12)3-4-8(6)9-2/h3-6,8-9H,1-2H3,(H,10,11,12)