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

Systemtic Name: 4-butyl-6-chloranyl-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-4-butyl-6-chloro-chromen-2-one CAS Name: 4-butyl-6-chloro-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-4-butyl-6-chloro-coumarin Formula: C20H19ClO3 MolecularWeight: 342.81606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClO3/c1-2-3-9-15-10-20(22)24-18-12-19(17(21)11-16(15)18)23-13-14-7-5-4-6-8-14/h4-8,10-12H,2-3,9,13H2,1H3