[5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] pentanoate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] pentanoate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) pentanoate CAS Name: pentanoic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) pentanoate Traditional Name: valeric acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=O)OC2=C1C(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OC1=C(C(=O)OC2=C1C(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H19ClO4/c1-2-3-12-18(23)26-20-15(13-14-8-5-4-6-9-14)21(24)25-17-11-7-10-16(22)19(17)20/h4-11H,2-3,12-13H2,1H3