(1S,4S,5R)-4-[(3E,7E)-8-iodanyl-3,7-dimethyl-octa-3,7-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-2-[(4-nitrophenyl)methoxymethyl]cyclohex-2-en-1-ol

Systemtic Name: (1S,4S,5R)-4-[(3E,7E)-8-iodanyl-3,7-dimethyl-octa-3,7-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-2-[(4-nitrophenyl)methoxymethyl]cyclohex-2-en-1-ol Openeye Name: (1S,4S,5R)-4-[(3E,7E)-8-iodo-3,7-dimethyl-octa-3,7-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-2-[(4-nitrophenyl)methoxymethyl]cyclohex-2-en-1-ol CAS Name: (1S,4S,5R)-4-[(3E,7E)-8-iodo-3,7-dimethylocta-3,7-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-2-[(4-nitrophenyl)methoxymethyl]-1-cyclohex-2-enol IUPAC Name: (1S,4S,5R)-4-[(3E,7E)-8-iodo-3,7-dimethylocta-3,7-dienyl]-3-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-2-[(4-nitrophenyl)methoxymethyl]cyclohex-2-en-1-ol Traditional Name: (1S,4S,5R)-4-[(3E,7E)-8-iodo-3,7-dimethyl-octa-3,7-dienyl]-4,5-dimethyl-2-[(4-nitrobenzyl)oxymethyl]-3-(p-anisyloxymethyl)cyclohex-2-en-1-ol Formula: C35H46INO6 MolecularWeight: 703.64731

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=C(C1(C)CCC(=CCCC(=CI)C)C)COCC2=CC=C(C=C2)OC)COCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H]1C[C@@H](C(=C([C@@]1(C)CC/C(=C/CC/C(=C/I)/C)/C)COCC2=CC=C(C=C2)OC)COCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C35H46INO6/c1-25(7-6-8-26(2)20-36)17-18-35(4)27(3)19-34(38)32(23-42-21-28-9-13-30(14-10-28)37(39)40)33(35)24-43-22-29-11-15-31(41-5)16-12-29/h7,9-16,20,27,34,38H,6,8,17-19,21-24H2,1-5H3/b25-7+,26-20+/t27-,34+,35+/m1/s1