(3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 4-acetamidobenzenesulfonate Openeye Name: (3,4-dimethyl-2-oxo-chromen-7-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,4-dimethyl-2-oxochromen-7-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (2-keto-3,4-dimethyl-chromen-7-yl) ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C19H17NO6S/c1-11-12(2)19(22)25-18-10-15(6-9-17(11)18)26-27(23,24)16-7-4-14(5-8-16)20-13(3)21/h4-10H,1-3H3,(H,20,21)