[4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenyl] (E)-octadec-9-enoate

Systemtic Name: [4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]phenyl] (E)-octadec-9-enoate Openeye Name: [4-(5,7-dihydroxy-4-oxo-chromen-3-yl)phenyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-(5,7-dihydroxy-4-oxo-1-benzopyran-3-yl)phenyl] ester IUPAC Name: [4-(5,7-dihydroxy-4-oxochromen-3-yl)phenyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-(5,7-dihydroxy-4-keto-chromen-3-yl)phenyl] ester Formula: C33H42O6 MolecularWeight: 534.68298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O

InChI

InChI=1S/C33H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31(36)39-27-20-18-25(19-21-27)28-24-38-30-23-26(34)22-29(35)32(30)33(28)37/h9-10,18-24,34-35H,2-8,11-17H2,1H3/b10-9+