4-butyl-6-chloranyl-7-phenacyloxy-chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-phenacyloxy-chromen-2-one Openeye Name: 4-butyl-6-chloro-7-phenacyloxy-chromen-2-one CAS Name: 4-butyl-6-chloro-7-phenacyloxy-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-phenacyloxychromen-2-one Traditional Name: 4-butyl-6-chloro-7-phenacyloxy-coumarin Formula: C21H19ClO4 MolecularWeight: 370.82616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=CC=C3

InChI

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