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

Systemtic Name: 2-azanyl-5-methoxy-4-(sulfanylmethyl)benzenesulfonic acid Openeye Name: 2-amino-5-methoxy-4-(sulfanylmethyl)benzenesulfonic acid CAS Name: 2-amino-4-(mercaptomethyl)-5-methoxybenzenesulfonic acid IUPAC Name: 2-amino-5-methoxy-4-(sulfanylmethyl)benzenesulfonic acid Traditional Name: 2-amino-4-(mercaptomethyl)-5-methoxy-besylic acid Formula: C8H11NO4S2 MolecularWeight: 249.30724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CS)N)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1CS)N)S(=O)(=O)O

InChI

InChI=1S/C8H11NO4S2/c1-13-7-3-8(15(10,11)12)6(9)2-5(7)4-14/h2-3,14H,4,9H2,1H3,(H,10,11,12)