Chem
J-GLOBAL ID:200907037487103510
Nikkaji number:J2.242.957D
2,6-Bis[4-(hexyloxy)phenyl]-3,7-bis(α-hydroxybenzhydryl)benzo[1,2-b:4,5-b′]dithiophene
2,6-ビス[4-(ヘキシルオキシ)フェニル]-3,7-ビス(α-ヒドロキシベンズヒドリル)ベンゾ[1,2-b:4,5-b′]ジチオフェン
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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:
C60 H58 O4 S2
Molecular formula furigana:
C60-H58-O4-S2
Molecular weight:
907.240
InChI:
InChI=1S/C60H58O4S2/c1-3-5-7-21-39-63-49-35-31-43(32-36-49)57-55(59(61,45-23-13-9-14-24-45)46-25-15-10-16-26-46)51-41-54-52(42-53(51)65-57)56(60(62,47-27-17-11-18-28-47)48-29-19-12-20-30-48)58(66-54)44-33-37-50(38-34-44)64-40-22-8-6-4-2/h9-20,23-38,41-42,61-62H,3-8,21-22,39-40H2,1-2H3
InChI key:
RKIMGGGAGKQTNN-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1sc2cc3c(c(sc3cc2c1C(O)(c1ccccc1)c1ccccc1)c1ccc(OCCCCCC)cc1)C(O)(c1ccccc1)c1ccccc1
Systematic name (3):
2,6-ビス[4-(ヘキシルオキシ)フェニル]-3,7-ビス(α-ヒドロキシベンズヒドリル)ベンゾ[1,2-b:4,5-b′]ジチオフェン
{5,11-ビス[4-(ヘキシルオキシ)フェニル]-12-(ヒドロキシジフェニルメチル)-4,10-ジチアトリシクロ[7.3.0.03,7 ]ドデカ-1(9),2,5,7,11-ペンタエン-6-イル}ジフェニルメタノール
{5,11-bis[4-(hexyloxy)phenyl]-12-(hydroxydiphenylmethyl)-4,10-dithiatricyclo[7.3.0.03,7 ]dodeca-1(9),2,5,7,11-pentaen-6-yl}diphenylmethanol
Other name (1):
2,6-Bis[4-(hexyloxy)phenyl]-3,7-bis(α-hydroxybenzhydryl)benzo[1,2-b:4,5-b′]dithiophene
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