4-methyl-7-pentoxy-3-pentyl-chromen-2-one

Systemtic Name: 4-methyl-7-pentoxy-3-pentyl-chromen-2-one Openeye Name: 4-methyl-7-pentoxy-3-pentyl-chromen-2-one CAS Name: 4-methyl-7-pentoxy-3-pentyl-1-benzopyran-2-one IUPAC Name: 4-methyl-7-pentoxy-3-pentylchromen-2-one Traditional Name: 7-amoxy-3-amyl-4-methyl-coumarin Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(C=C(C=C2)OCCCCC)OC1=O)C

Isomeric SMILES

CCCCCC1=C(C2=C(C=C(C=C2)OCCCCC)OC1=O)C

InChI

InChI=1S/C20H28O3/c1-4-6-8-10-18-15(3)17-12-11-16(22-13-9-7-5-2)14-19(17)23-20(18)21/h11-12,14H,4-10,13H2,1-3H3