3-azanyl-2-methoxy-5-methyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-2-methoxy-5-methyl-benzenesulfonic acid Openeye Name: 3-amino-2-methoxy-5-methyl-benzenesulfonic acid CAS Name: 3-amino-2-methoxy-5-methylbenzenesulfonic acid IUPAC Name: 3-amino-2-methoxy-5-methylbenzenesulfonic acid Traditional Name: 3-amino-2-methoxy-5-methyl-besylic acid Formula: C8H11NO4S MolecularWeight: 217.24224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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