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

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] hexanoate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) hexanoate CAS Name: hexanoic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) hexanoate Traditional Name: hexanoic acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO4/c1-2-3-5-13-19(24)27-21-16(14-15-9-6-4-7-10-15)22(25)26-18-12-8-11-17(23)20(18)21/h4,6-12H,2-3,5,13-14H2,1H3