4-butyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-(4-chlorophenyl)-2-keto-ethoxy]coumarin Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClO4/c1-2-3-4-15-11-21(24)26-20-12-17(9-10-18(15)20)25-13-19(23)14-5-7-16(22)8-6-14/h5-12H,2-4,13H2,1H3