[2-methyl-2-(4-methyl-2-oxidanylidene-pent-3-enyl)-5-oxidanyl-3,4-dihydrochromen-7-yl]methyl hexadecanoate

Systemtic Name: [2-methyl-2-(4-methyl-2-oxidanylidene-pent-3-enyl)-5-oxidanyl-3,4-dihydrochromen-7-yl]methyl hexadecanoate Openeye Name: [5-hydroxy-2-methyl-2-(4-methyl-2-oxo-pent-3-enyl)chroman-7-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [5-hydroxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydro-2H-1-benzopyran-7-yl]methyl ester IUPAC Name: [5-hydroxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate Traditional Name: palmitic acid [5-hydroxy-2-(2-keto-4-methyl-pent-3-enyl)-2-methyl-chroman-7-yl]methyl ester Formula: C33H52O5 MolecularWeight: 528.76298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CC2=C(CCC(O2)(C)CC(=O)C=C(C)C)C(=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC2=C(CCC(O2)(C)CC(=O)C=C(C)C)C(=C1)O

InChI

InChI=1S/C33H52O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(36)37-25-27-22-30(35)29-19-20-33(4,38-31(29)23-27)24-28(34)21-26(2)3/h21-23,35H,5-20,24-25H2,1-4H3