(2-methyl-4-oxidanylidene-pyran-3-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (2-methyl-4-oxidanylidene-pyran-3-yl) 4-acetamidobenzenesulfonate Openeye Name: (2-methyl-4-oxo-pyran-3-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (2-methyl-4-oxo-3-pyranyl) ester IUPAC Name: (2-methyl-4-oxopyran-3-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (4-keto-2-methyl-pyran-3-yl) ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)C=CO1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C14H13NO6S/c1-9-14(13(17)7-8-20-9)21-22(18,19)12-5-3-11(4-6-12)15-10(2)16/h3-8H,1-2H3,(H,15,16)