(4-azanyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) methanesulfonate

Systemtic Name: (4-azanyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) methanesulfonate Openeye Name: (4-amino-7-oxo-cyclohepta-1,3,5-trien-1-yl) methanesulfonate CAS Name: methanesulfonic acid (4-amino-7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (4-amino-7-oxocyclohepta-1,3,5-trien-1-yl) methanesulfonate Traditional Name: methanesulfonic acid (4-amino-7-keto-cyclohepta-1,3,5-trien-1-yl) ester Formula: C8H9NO4S MolecularWeight: 215.22636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=CC1=O)N

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=CC1=O)N

InChI

InChI=1S/C8H9NO4S/c1-14(11,12)13-8-5-3-6(9)2-4-7(8)10/h2-5H,9H2,1H3