(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-acetamidobenzenesulfonate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H19NO6S/c1-4-14-10-17-12(2)9-20(23)26-19(17)11-18(14)27-28(24,25)16-7-5-15(6-8-16)21-13(3)22/h5-11H,4H2,1-3H3,(H,21,22)