3-hexyl-4-methyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one Openeye Name: 7-[(E)-cinnamyl]oxy-3-hexyl-4-methyl-chromen-2-one CAS Name: 3-hexyl-4-methyl-7-[(E)-3-phenylprop-2-enoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one Traditional Name: 7-[(E)-cinnamyl]oxy-3-hexyl-4-methyl-coumarin Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC=CC3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OC/C=C/C3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C25H28O3/c1-3-4-5-9-14-23-19(2)22-16-15-21(18-24(22)28-25(23)26)27-17-10-13-20-11-7-6-8-12-20/h6-8,10-13,15-16,18H,3-5,9,14,17H2,1-2H3/b13-10+