[(E)-2-methyl-4-(7-oxidanyl-2-oxidanylidene-chromen-8-yl)but-2-enyl] octanoate

Systemtic Name: [(E)-2-methyl-4-(7-oxidanyl-2-oxidanylidene-chromen-8-yl)but-2-enyl] octanoate Openeye Name: [(E)-4-(7-hydroxy-2-oxo-chromen-8-yl)-2-methyl-but-2-enyl] octanoate CAS Name: octanoic acid [(E)-4-(7-hydroxy-2-oxo-1-benzopyran-8-yl)-2-methylbut-2-enyl] ester IUPAC Name: [(E)-4-(7-hydroxy-2-oxochromen-8-yl)-2-methylbut-2-enyl] octanoate Traditional Name: caprylic acid [(E)-4-(7-hydroxy-2-keto-chromen-8-yl)-2-methyl-but-2-enyl] ester Formula: C22H28O5 MolecularWeight: 372.45472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C

Isomeric SMILES

CCCCCCCC(=O)OC/C(=C/CC1=C(C=CC2=C1OC(=O)C=C2)O)/C

InChI

InChI=1S/C22H28O5/c1-3-4-5-6-7-8-20(24)26-15-16(2)9-12-18-19(23)13-10-17-11-14-21(25)27-22(17)18/h9-11,13-14,23H,3-8,12,15H2,1-2H3/b16-9+