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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)S(=O)(=O)O)N)Cl

Isomeric SMILES

CC1(C=CC(C(=C1)S(=O)(=O)O)N)Cl

InChI

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