[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] hexadecanoate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] hexadecanoate Openeye Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl] hexadecanoate CAS Name: hexadecanoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] hexadecanoate Traditional Name: palmitic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl] ester Formula: C31H40O8 MolecularWeight: 540.6445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C31H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(36)39-31-29(37)28-25(35)19-22(32)20-26(28)38-30(31)21-16-17-23(33)24(34)18-21/h16-20,32-35H,2-15H2,1H3