3-azanyl-2-bromanyl-4-methyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-2-bromanyl-4-methyl-benzenesulfonic acid Openeye Name: 3-amino-2-bromo-4-methyl-benzenesulfonic acid CAS Name: 3-amino-2-bromo-4-methylbenzenesulfonic acid IUPAC Name: 3-amino-2-bromo-4-methylbenzenesulfonic acid Traditional Name: 3-amino-2-bromo-4-methyl-besylic acid Formula: C7H8BrNO3S MolecularWeight: 266.11232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)Br)N

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)Br)N

InChI

InChI=1S/C7H8BrNO3S/c1-4-2-3-5(13(10,11)12)6(8)7(4)9/h2-3H,9H2,1H3,(H,10,11,12)