6-azanyl-3-chloranyl-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 6-azanyl-3-chloranyl-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-amino-3-chloro-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-amino-3-chloro-1-methyl-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-amino-3-chloro-1-methylcyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-amino-3-chloro-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid Formula: C7H10ClNO3S MolecularWeight: 223.6772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C=CC1N)Cl)S(=O)(=O)O

Isomeric SMILES

CC1(C=C(C=CC1N)Cl)S(=O)(=O)O

InChI

InChI=1S/C7H10ClNO3S/c1-7(13(10,11)12)4-5(8)2-3-6(7)9/h2-4,6H,9H2,1H3,(H,10,11,12)