3-hexyl-4,8-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one

Systemtic Name: 3-hexyl-4,8-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one Openeye Name: 3-hexyl-4,8-dimethyl-7-(p-tolylmethoxy)chromen-2-one CAS Name: 3-hexyl-4,8-dimethyl-7-[(4-methylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4,8-dimethyl-7-[(4-methylphenyl)methoxy]chromen-2-one Traditional Name: 3-hexyl-4,8-dimethyl-7-(4-methylbenzyl)oxy-coumarin Formula: C25H30O3 MolecularWeight: 378.5039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)C)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)C)C)OC1=O)C

InChI

InChI=1S/C25H30O3/c1-5-6-7-8-9-22-18(3)21-14-15-23(19(4)24(21)28-25(22)26)27-16-20-12-10-17(2)11-13-20/h10-15H,5-9,16H2,1-4H3