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

Systemtic Name: 3-azanyl-4-chloranyl-5-methyl-benzenesulfonic acid Openeye Name: 3-amino-4-chloro-5-methyl-benzenesulfonic acid CAS Name: 3-amino-4-chloro-5-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-chloro-5-methylbenzenesulfonic acid Traditional Name: 3-amino-4-chloro-5-methyl-besylic acid Formula: C7H8ClNO3S MolecularWeight: 221.66132

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