Chem
J-GLOBAL ID:200907072776379434   Nikkaji number:J2.100.054J

7-Decyl[1]benzothieno[3,2-b][1]benzothiophene-2-carboxylic acid 2-chloro-4-[[[(S)-1-methylheptyl]oxy]carbonyl]phenyl ester

7-デシル[1]ベンゾチエノ[3,2-b][1]ベンゾチオフェン-2-カルボン酸2-クロロ-4-[[[(S)-1-メチルヘプチル]オキシ]カルボニル]フェニル
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: C40H47ClO4S2
Molecular formula furigana: C40-H47-CL-O4-S2
Molecular weight: 691.380
InChI: InChI=1S/C40H47ClO4S2/c1-4-6-8-10-11-12-13-15-17-28-18-21-31-35(24-28)46-38-32-22-19-30(26-36(32)47-37(31)38)40(43)45-34-23-20-29(25-33(34)41)39(42)44-27(3)16-14-9-7-5-2/h18-27H,4-17H2,1-3H3/t27-/m0/s1
InChI key: OHPQTIOWKMWPHU-MHZLTWQESA-N
SMILES: CCCCCCCCCCc1ccc2c(c1)sc1c3ccc(cc3sc21)C(=O)Oc1ccc(cc1Cl)C(=O)O[C@@H](C)CCCCCC
Systematic name  (3):
  • 7-デシル[1]ベンゾチエノ[3,2-b][1]ベンゾチオフェン-2-カルボン酸2-クロロ-4-[[[(S)-1-メチルヘプチル]オキシ]カルボニル]フェニル
  • 2-クロロ-4-{[(2S)-オクタン-2-イルオキシ]カルボニル}フェニル 13-デシル-8,16-ジチアテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-1(9),2,4,6,10(15),11,13-ヘプタエン-5-カルボキシラート
  • 2-chloro-4-{[(2S)-octan-2-yloxy]carbonyl}phenyl 13-decyl-8,16-dithiatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10(15),11,13-heptaene-5-carboxylate
Other name (1):
  • 7-Decyl[1]benzothieno[3,2-b][1]benzothiophene-2-carboxylic acid 2-chloro-4-[[[(S)-1-methylheptyl]oxy]carbonyl]phenyl ester
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