[3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] decanoate

Systemtic Name: [3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] decanoate Openeye Name: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-cyclohex-3-en-1-yl] decanoate CAS Name: decanoic acid [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] decanoate Traditional Name: capric acid [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2-keto-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C50H70O5 MolecularWeight: 751.0878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1CC(C(=C(C1=O)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C)(C)C

Isomeric SMILES

CCCCCCCCCC(=O)OC1CC(C(=C(C1=O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)C(CC2(C)C)O)C)/C)/C)(C)C

InChI

InChI=1S/C50H70O5/c1-12-13-14-15-16-17-18-29-46(52)55-45-35-50(10,11)43(41(7)48(45)54)33-31-39(5)28-22-26-37(3)24-20-19-23-36(2)25-21-27-38(4)30-32-42-40(6)47(53)44(51)34-49(42,8)9/h19-28,30-33,44-45,51H,12-18,29,34-35H2,1-11H3/b20-19+,25-21+,26-22+,32-30+,33-31+,36-23+,37-24+,38-27+,39-28+