[(3E,6R,7E)-1-[(1S,2S,5Z,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,2-dimethyl-2-oxidanyl-5-(1-oxidanylidenepropan-2-ylidene)cyclohexyl]-4,8,12-trimethyl-trideca-3,7,11-trien-6-yl] 4-bromanylbenzoate

Systemtic Name: [(3E,6R,7E)-1-[(1S,2S,5Z,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,2-dimethyl-2-oxidanyl-5-(1-oxidanylidenepropan-2-ylidene)cyclohexyl]-4,8,12-trimethyl-trideca-3,7,11-trien-6-yl] 4-bromanylbenzoate Openeye Name: [(1R,2E)-1-[(E)-5-[(1S,2S,5Z,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-1,2-dimethyl-5-(1-methyl-2-oxo-ethylidene)cyclohexyl]-2-methyl-pent-2-enyl]-3,7-dimethyl-octa-2,6-dienyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3E,6R,7E)-1-[(1S,2S,5Z,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-1,2-dimethyl-5-(1-oxopropan-2-ylidene)cyclohexyl]-4,8,12-trimethyltrideca-3,7,11-trien-6-yl] ester IUPAC Name: [(3E,6R,7E)-1-[(1S,2S,5Z,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-1,2-dimethyl-5-(1-oxopropan-2-ylidene)cyclohexyl]-4,8,12-trimethyltrideca-3,7,11-trien-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,2E)-1-[(E)-5-[(1S,2S,5Z,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-5-(2-keto-1-methyl-ethylidene)-1,2-dimethyl-cyclohexyl]-2-methyl-pent-2-enyl]-3,7-dimethyl-octa-2,6-dienyl] ester Formula: C43H67BrO5Si MolecularWeight: 771.97858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC(CC(=CCCC1(C(C(=C(C)C=O)CCC1(C)O)CCCO[Si](C)(C)C(C)(C)C)C)C)OC(=O)C2=CC=C(C=C2)Br)C)C

Isomeric SMILES

CC(=CCC/C(=C/[C@@H](C/C(=C/CC[C@]1([C@@H](/C(=C(/C)\C=O)/CC[C@]1(C)O)CCCO[Si](C)(C)C(C)(C)C)C)/C)OC(=O)C2=CC=C(C=C2)Br)/C)C

InChI

InChI=1S/C43H67BrO5Si/c1-31(2)16-13-17-32(3)28-37(49-40(46)35-20-22-36(44)23-21-35)29-33(4)18-14-25-42(9)39(19-15-27-48-50(11,12)41(6,7)8)38(34(5)30-45)24-26-43(42,10)47/h16,18,20-23,28,30,37,39,47H,13-15,17,19,24-27,29H2,1-12H3/b32-28+,33-18+,38-34-/t37-,39+,42-,43-/m0/s1