3-hexyl-4-methyl-7-phenylmethoxy-chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-3-hexyl-4-methyl-chromen-2-one CAS Name: 3-hexyl-4-methyl-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-3-hexyl-4-methyl-coumarin Formula: C23H26O3 MolecularWeight: 350.45074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O3/c1-3-4-5-9-12-21-17(2)20-14-13-19(15-22(20)26-23(21)24)25-16-18-10-7-6-8-11-18/h6-8,10-11,13-15H,3-5,9,12,16H2,1-2H3