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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1CS)N)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1CS)N)S(=O)(=O)O

InChI

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