5-azanyl-4-chloranyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-azanyl-4-chloranyl-2-methyl-benzenesulfonic acid Openeye Name: 5-amino-4-chloro-2-methyl-benzenesulfonic acid CAS Name: 5-amino-4-chloro-2-methylbenzenesulfonic acid IUPAC Name: 5-amino-4-chloro-2-methylbenzenesulfonic acid Traditional Name: 5-amino-4-chloro-2-methyl-besylic acid Formula: C7H8ClNO3S MolecularWeight: 221.66132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)N)Cl

InChI

InChI=1S/C7H8ClNO3S/c1-4-2-5(8)6(9)3-7(4)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)