methyl 4-azanyl-2-sulfooxy-benzoate

Systemtic Name: methyl 4-azanyl-2-sulfooxy-benzoate Openeye Name: methyl 4-amino-2-sulfooxy-benzoate CAS Name: 4-amino-2-sulfooxybenzoic acid methyl ester IUPAC Name: methyl 4-amino-2-sulfooxybenzoate Traditional Name: 4-amino-2-sulfoxy-benzoic acid methyl ester Formula: C8H9NO6S MolecularWeight: 247.22516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N)OS(=O)(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N)OS(=O)(=O)O

InChI

InChI=1S/C8H9NO6S/c1-14-8(10)6-3-2-5(9)4-7(6)15-16(11,12)13/h2-4H,9H2,1H3,(H,11,12,13)