2-azanyl-4-chloranyl-5-methyl-benzenesulfonate

Systemtic Name: 2-azanyl-4-chloranyl-5-methyl-benzenesulfonate Openeye Name: 2-amino-4-chloro-5-methyl-benzenesulfonate CAS Name: 2-amino-4-chloro-5-methylbenzenesulfonate IUPAC Name: 2-amino-4-chloro-5-methylbenzenesulfonate Traditional Name: 2-amino-4-chloro-5-methyl-besylate Formula: C7H7ClNO3S- MolecularWeight: 220.65338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)N)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)N)S(=O)(=O)[O-]

InChI

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