[2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate

Systemtic Name: [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate Openeye Name: [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)chroman-6-yl] hexadecanoate CAS Name: hexadecanoic acid [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl] hexadecanoate Traditional Name: palmitic acid [2,7,8-trimethyl-3-(4,8,12-trimethyltridecyl)chroman-6-yl] ester Formula: C44H78O3 MolecularWeight: 655.08832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C2C(=C1)CC(C(O2)C)CCCC(C)CCCC(C)CCCC(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=C2C(=C1)CC(C(O2)C)CCCC(C)CCCC(C)CCCC(C)C)C)C

InChI

InChI=1S/C44H78O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-31-43(45)47-42-33-41-32-40(39(8)46-44(41)38(7)37(42)6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h33-36,39-40H,9-32H2,1-8H3