2,2,4-trimethyl-1-pentyl-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

Systemtic Name: 2,2,4-trimethyl-1-pentyl-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol Openeye Name: 2,2,4-trimethyl-1-pentyl-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol CAS Name: 2,2,4-trimethyl-1-pentyl-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enol IUPAC Name: 2,2,4-trimethyl-1-pentyl-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol Traditional Name: 1-amyl-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol Formula: C45H66O MolecularWeight: 623.00494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(=C(C1(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C)C)O

Isomeric SMILES

CCCCCC1(CCC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)/C)/C)C)O

InChI

InChI=1S/C45H66O/c1-12-13-16-33-45(46)34-31-40(7)42(44(45,10)11)30-28-38(5)25-18-23-36(3)21-15-14-20-35(2)22-17-24-37(4)27-29-41-39(6)26-19-32-43(41,8)9/h14-15,17-18,20-25,27-30,46H,12-13,16,19,26,31-34H2,1-11H3/b15-14+,22-17+,23-18+,29-27+,30-28+,35-20-,36-21+,37-24+,38-25+