3-hexyl-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-(p-tolylmethoxy)chromen-2-one CAS Name: 3-hexyl-4-methyl-7-[(4-methylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one Traditional Name: 3-hexyl-4-methyl-7-(4-methylbenzyl)oxy-coumarin Formula: C24H28O3 MolecularWeight: 364.47732

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)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28O3/c1-4-5-6-7-8-22-18(3)21-14-13-20(15-23(21)27-24(22)25)26-16-19-11-9-17(2)10-12-19/h9-15H,4-8,16H2,1-3H3