Chem
J-GLOBAL ID：200907050030238130   Nikkaji number：J2.389.456D

3,3′-[4α,5β-Dicyano-4,5-bis(ethoxycarbonyl)-3β,6β-(cyclohexane-1-ylidenemethylene)cyclohexene-1,2-diyl]bis(2-methyl-5-phenylthiophene)

3,3′-[4α,5β-ジシアノ-4,5-ビス(エトキシカルボニル)-3β,6β-(シクロヘキサン-1-イリデンメチレン)シクロヘキセン-1,2-ジイル]ビス(2-メチル-5-フェニルチオフェン)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C43H40N2O4S2
Molecular formula furigana： C43-H40-N2-O4-S2
Molecular weight： 712.920
InChI： InChI=1S/C43H40N2O4S2/c1-5-48-40(46)42(24-44)38-35(30-20-14-9-15-21-30)39(43(42,25-45)41(47)49-6-2)37(32-23-34(51-27(32)4)29-18-12-8-13-19-29)36(38)31-22-33(50-26(31)3)28-16-10-7-11-17-28/h7-8,10-13,16-19,22-23,38-39H,5-6,9,14-15,20-21H2,1-4H3/t38-,39+,42-,43-/m0/s1
InChI key： CIUDATGRZXUNQN-DDGNJWOQSA-N
SMILES： CCOC(=O)[C@]1(C#N)[C@H]2C(=C3CCCCC3)[C@H](C(=C2c2cc(sc2C)c2ccccc2)c2cc(sc2C)c2ccccc2)[C@@]1(C#N)C(=O)OCC
Systematic name  (3)：
  • 3,3′-[4α,5β-ジシアノ-4,5-ビス(エトキシカルボニル)-3β,6β-(シクロヘキサン-1-イリデンメチレン)シクロヘキセン-1,2-ジイル]ビス(2-メチル-5-フェニルチオフェン)
  • 2,3-ジエチル (1R,2R,3R,4S)-2,3-ジシアノ-7-シクロヘキシリデン-5,6-ビス(2-メチル-5-フェニルチオフェン-3-イル)ビシクロ[2.2.1]ヘプタ-5-エン-2,3-ジカルボキシラート
  • 2,3-diethyl (1R,2R,3R,4S)-2,3-dicyano-7-cyclohexylidene-5,6-bis(2-methyl-5-phenylthiophen-3-yl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Other name (1)：
  • 3,3′-[4α,5β-Dicyano-4,5-bis(ethoxycarbonyl)-3β,6β-(cyclohexane-1-ylidenemethylene)cyclohexene-1,2-diyl]bis(2-methyl-5-phenylthiophene)
Thsaurus map：
Thesaurus Map

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