Chem
J-GLOBAL ID：200907001513709966
Nikkaji number：J2.531.161B
1,1′-(4,5-Propano-8a,8b-dihydro-8a,8b-dimethylbenzo[2,1-b:3,4-b′]dithiophene-2,7-diyl)bis(1,4-phenyleneoxytrimethylene)bis(3-butylurea)
1,1′-(4,5-プロパノ-8a,8b-ジヒドロ-8a,8b-ジメチルベンゾ[2,1-b:3,4-b′]ジチオフェン-2,7-ジイル)ビス(1,4-フェニレンオキシトリメチレン)ビス(3-ブチル尿素)
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
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
Molecular formula： C43H56N4O4S2
Molecular formula furigana： C43-H56-N4-O4-S2
Molecular weight： 757.070
InChI：
InChI=1S/C43H56N4O4S2/c1-5-7-22-44-40(48)46-24-10-26-50-32-18-14-30(15-19-32)38-28-36-34-12-9-13-35(34)37-29-39(53-43(37,4)42(36,3)52-38)31-16-20-33(21-17-31)51-27-11-25-47-41(49)45-23-8-6-2/h14-21,28-29H,5-13,22-27H2,1-4H3,(H2,44,46,48)(H2,45,47,49)
InChI key：
QVYRDMPGRDGYQU-UHFFFAOYSA-N
SMILES：
CCCCNC(=O)NCCCOc1ccc(cc1)C1=CC2=C3CCCC3=C3C=C(SC3(C)C2(C)S1)c1ccc(OCCCNC(=O)NCCCC)cc1
Systematic name (1)：
- 1,1′-(4,5-プロパノ-8a,8b-ジヒドロ-8a,8b-ジメチルベンゾ[2,1-b:3,4-b′]ジチオフェン-2,7-ジイル)ビス(1,4-フェニレンオキシトリメチレン)ビス(3-ブチル尿素)
- 1,1′-(4,5-Propano-8a,8b-dihydro-8a,8b-dimethylbenzo[2,1-b:3,4-b′]dithiophene-2,7-diyl)bis(1,4-phenyleneoxytrimethylene)bis(3-butylurea)
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