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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(C(=C1)C(C)(C)C)(O)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(C(=C1)C(C)(C)C)(O)O)C(C)(C)C

InChI

InChI=1S/C35H64O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-39-32(36)25-24-29-27-30(33(2,3)4)35(37,38)31(28-29)34(5,6)7/h27-29,37-38H,8-26H2,1-7H3