(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C20H17ClO4 MolecularWeight: 356.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H17ClO4/c1-3-4-14-9-19(22)24-17-11-18(16(21)10-15(14)17)25-20(23)13-7-5-12(2)6-8-13/h5-11H,3-4H2,1-2H3