[2-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-propan-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl octadecanoate

Systemtic Name: [2-[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-propan-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl octadecanoate Openeye Name: [2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,1-dimethyl-ethyl]-5-methyl-1,3-dioxan-5-yl]methyl octadecanoate CAS Name: octadecanoic acid [2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl ester IUPAC Name: [2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropan-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl octadecanoate Traditional Name: stearic acid [2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,1-dimethyl-ethyl]-5-methyl-1,3-dioxan-5-yl]methyl ester Formula: C42H74O5 MolecularWeight: 659.03396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(OC1)C(C)(C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(COC(OC1)C(C)(C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C42H74O5/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36(43)45-30-42(10)31-46-38(47-32-42)41(8,9)29-33-27-34(39(2,3)4)37(44)35(28-33)40(5,6)7/h27-28,38,44H,11-26,29-32H2,1-10H3