3-azanyl-2,4,6-trimethyl-5-sulfanyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-2,4,6-trimethyl-5-sulfanyl-benzenesulfonic acid Openeye Name: 3-amino-2,4,6-trimethyl-5-sulfanyl-benzenesulfonic acid CAS Name: 3-amino-5-mercapto-2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 3-amino-2,4,6-trimethyl-5-sulfanylbenzenesulfonic acid Traditional Name: 3-amino-5-mercapto-2,4,6-trimethyl-besylic acid Formula: C9H13NO3S2 MolecularWeight: 247.33442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1S)C)S(=O)(=O)O)C)N

Isomeric SMILES

CC1=C(C(=C(C(=C1S)C)S(=O)(=O)O)C)N

InChI

InChI=1S/C9H13NO3S2/c1-4-7(10)5(2)9(15(11,12)13)6(3)8(4)14/h14H,10H2,1-3H3,(H,11,12,13)