2-azanyl-3,5,6-trimethyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-3,5,6-trimethyl-benzenesulfonic acid Openeye Name: 2-amino-3,5,6-trimethyl-benzenesulfonic acid CAS Name: 2-amino-3,5,6-trimethylbenzenesulfonic acid IUPAC Name: 2-amino-3,5,6-trimethylbenzenesulfonic acid Traditional Name: 2-amino-3,5,6-trimethyl-besylic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)O)N)C

InChI

InChI=1S/C9H13NO3S/c1-5-4-6(2)8(10)9(7(5)3)14(11,12)13/h4H,10H2,1-3H3,(H,11,12,13)