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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC=C1Cl)(N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(CC=C1Cl)(N)S(=O)(=O)O

InChI

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