octadecyl 2-[3,5-ditert-butyl-4,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]propanoate

Systemtic Name: octadecyl 2-[3,5-ditert-butyl-4,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]propanoate Openeye Name: octadecyl 2-(3,5-ditert-butyl-4,4-dihydroxy-cyclohexa-2,5-dien-1-yl)propanoate CAS Name: 2-(3,5-ditert-butyl-4,4-dihydroxy-1-cyclohexa-2,5-dienyl)propanoic acid octadecyl ester IUPAC Name: octadecyl 2-(3,5-ditert-butyl-4,4-dihydroxycyclohexa-2,5-dien-1-yl)propanoate Traditional Name: 2-(3,5-ditert-butyl-4,4-dihydroxy-cyclohexa-2,5-dien-1-yl)propionic acid stearyl ester Formula: C35H64O4 MolecularWeight: 548.88026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C1C=C(C(C(=C1)C(C)(C)C)(O)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C)C1C=C(C(C(=C1)C(C)(C)C)(O)O)C(C)(C)C

InChI

InChI=1S/C35H64O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-39-32(36)28(2)29-26-30(33(3,4)5)35(37,38)31(27-29)34(6,7)8/h26-29,37-38H,9-25H2,1-8H3