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

Systemtic Name: 3-azanyl-4-methoxy-5-methyl-benzenesulfonic acid Openeye Name: 3-amino-4-methoxy-5-methyl-benzenesulfonic acid CAS Name: 3-amino-4-methoxy-5-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-methoxy-5-methylbenzenesulfonic acid Traditional Name: 3-amino-4-methoxy-5-methyl-besylic acid Formula: C8H11NO4S MolecularWeight: 217.24224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC)N)S(=O)(=O)O

InChI

InChI=1S/C8H11NO4S/c1-5-3-6(14(10,11)12)4-7(9)8(5)13-2/h3-4H,9H2,1-2H3,(H,10,11,12)