(2-oxidanylidene-4-propyl-chromen-7-yl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate CAS Name: 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonate Traditional Name: 2-keto-3,4-dihydro-1H-quinoline-6-sulfonic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C21H19NO6S/c1-2-3-13-11-21(24)27-19-12-15(5-7-17(13)19)28-29(25,26)16-6-8-18-14(10-16)4-9-20(23)22-18/h5-8,10-12H,2-4,9H2,1H3,(H,22,23)