4-butyl-6-chloranyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(E)-cinnamyl]oxy-chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(E)-3-phenylprop-2-enoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-[(E)-cinnamyl]oxy-coumarin Formula: C22H21ClO3 MolecularWeight: 368.85334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC=CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21ClO3/c1-2-3-11-17-13-22(24)26-20-15-21(19(23)14-18(17)20)25-12-7-10-16-8-5-4-6-9-16/h4-10,13-15H,2-3,11-12H2,1H3/b10-7+