4-azanyl-2-methoxycarbonyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-2-methoxycarbonyl-benzenesulfonic acid Openeye Name: 4-amino-2-methoxycarbonyl-benzenesulfonic acid CAS Name: 4-amino-2-methoxycarbonylbenzenesulfonic acid IUPAC Name: 4-amino-2-methoxycarbonylbenzenesulfonic acid Traditional Name: 4-amino-2-carbomethoxy-besylic acid Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N)S(=O)(=O)O

InChI

InChI=1S/C8H9NO5S/c1-14-8(10)6-4-5(9)2-3-7(6)15(11,12)13/h2-4H,9H2,1H3,(H,11,12,13)