(2-oxidanylidene-4-propyl-chromen-7-yl) 4-acetamidobenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

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