hexyl 2-(2-hexadecyl-2,7,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-5-yl)ethanoate

Systemtic Name: hexyl 2-(2-hexadecyl-2,7,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-5-yl)ethanoate Openeye Name: hexyl 2-(2-hexadecyl-6-hydroxy-2,7,8-trimethyl-chroman-5-yl)acetate CAS Name: 2-(2-hexadecyl-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid hexyl ester IUPAC Name: hexyl 2-(2-hexadecyl-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-5-yl)acetate Traditional Name: 2-(2-cetyl-6-hydroxy-2,7,8-trimethyl-chroman-5-yl)acetic acid hexyl ester Formula: C36H62O4 MolecularWeight: 558.87508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)O)CC(=O)OCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)O)CC(=O)OCCCCCC)C

InChI

InChI=1S/C36H62O4/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-25-36(5)26-24-31-32(28-33(37)39-27-23-11-9-7-2)34(38)29(3)30(4)35(31)40-36/h38H,6-28H2,1-5H3