1-azanyl-4-methyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 1-azanyl-4-methyl-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 1-amino-4-methyl-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 1-amino-4-methyl-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 1-amino-4-methylcyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 1-amino-4-methyl-cyclohexa-2,4-diene-1-sulfonic acid Formula: C7H11NO3S MolecularWeight: 189.23214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1)(N)S(=O)(=O)O

Isomeric SMILES

CC1=CCC(C=C1)(N)S(=O)(=O)O

InChI

InChI=1S/C7H11NO3S/c1-6-2-4-7(8,5-3-6)12(9,10)11/h2-4H,5,8H2,1H3,(H,9,10,11)