3-azanyl-2,4-dimethyl-5-(sulfanylmethyl)benzenesulfonic acid

Systemtic Name: 3-azanyl-2,4-dimethyl-5-(sulfanylmethyl)benzenesulfonic acid Openeye Name: 3-amino-2,4-dimethyl-5-(sulfanylmethyl)benzenesulfonic acid CAS Name: 3-amino-5-(mercaptomethyl)-2,4-dimethylbenzenesulfonic acid IUPAC Name: 3-amino-2,4-dimethyl-5-(sulfanylmethyl)benzenesulfonic acid Traditional Name: 3-amino-5-(mercaptomethyl)-2,4-dimethyl-besylic acid Formula: C9H13NO3S2 MolecularWeight: 247.33442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CS)S(=O)(=O)O)C)N

Isomeric SMILES

CC1=C(C(=C(C=C1CS)S(=O)(=O)O)C)N

InChI

InChI=1S/C9H13NO3S2/c1-5-7(4-14)3-8(15(11,12)13)6(2)9(5)10/h3,14H,4,10H2,1-2H3,(H,11,12,13)