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

Systemtic Name: 3-azanyl-2,4,5-trimethyl-benzenesulfonic acid Openeye Name: 3-amino-2,4,5-trimethyl-benzenesulfonic acid CAS Name: 3-amino-2,4,5-trimethylbenzenesulfonic acid IUPAC Name: 3-amino-2,4,5-trimethylbenzenesulfonic acid Traditional Name: 3-amino-2,4,5-trimethyl-besylic acid Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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