Chem
J-GLOBAL ID：201007041010382350   Nikkaji number：J2.844.956I

(E)-2-Cyano-3-[7-[[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethynyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]acrylic acid

(E)-2-シアノ-3-[7-[[9,10-ビス(1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル]エチニル]-2,3-ジヒドロチエノ[3,4-b][1,4]ジオキシン-5-イル]アクリル酸
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： C32H17NO4S5
Molecular formula furigana： C32-H17-N-O4-S5
Molecular weight： 639.790
InChI： InChI=1S/C32H17NO4S5/c33-17-19(30(34)35)16-25-29-28(36-9-10-37-29)24(42-25)8-6-18-5-7-22-23(15-18)27(32-40-13-14-41-32)21-4-2-1-3-20(21)26(22)31-38-11-12-39-31/h1-5,7,11-16H,9-10H2,(H,34,35)/b19-16+
InChI key： ARQCLWXLYVAHOW-KNTRCKAVSA-N
SMILES： OC(=O)/C(=C/c1sc(C#Cc2ccc3c(c2)/c(=C/2\SC=CS2)/c2ccccc2/c/3=C/2\SC=CS2)c2OCCOc12)/C#N
Systematic name  (3)：
  • (E)-2-シアノ-3-[7-[[9,10-ビス(1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル]エチニル]-2,3-ジヒドロチエノ[3,4-b][1,4]ジオキシン-5-イル]アクリル酸
  • (2E)-3-(7-{2-[9,10-ビス(2H-1,3-ジチオール-2-イリデン)-9,10-ジヒドロアントラセン-2-イル]エチニル}-2H,3H-チエノ[3,4-b][1,4]ジオキシン-5-イル)-2-シアノプロパ-2-エン酸
  • (2E)-3-(7-{2-[9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]ethynyl}-2H,3H-thieno[3,4-b][1,4]dioxin-5-yl)-2-cyanoprop-2-enoic acid
Other name (1)：
  • (E)-2-Cyano-3-[7-[[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethynyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]acrylic acid
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