2-azanyl-5-methyl-4-(sulfanylmethyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-methyl-4-(sulfanylmethyl)benzenesulfonic acid Openeye Name: 2-amino-5-methyl-4-(sulfanylmethyl)benzenesulfonic acid CAS Name: 2-amino-4-(mercaptomethyl)-5-methylbenzenesulfonic acid IUPAC Name: 2-amino-5-methyl-4-(sulfanylmethyl)benzenesulfonic acid Traditional Name: 2-amino-4-(mercaptomethyl)-5-methyl-besylic acid Formula: C8H11NO3S2 MolecularWeight: 233.30784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S2/c1-5-2-8(14(10,11)12)7(9)3-6(5)4-13/h2-3,13H,4,9H2,1H3,(H,10,11,12)