Chem
J-GLOBAL ID:200907097355363566
Nikkaji number:J2.235.381K
4-[(E)-2-[4-[(E)-2-[2,5-Bis(hexyloxy)-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzaldehyde
4-[(E)-2-[4-[(E)-2-[2,5-ビス(ヘキシルオキシ)-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[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]エテニル]フェニル]エテニル]フェニル]エテニル]フェニル]エテニル]フェニル]エテニル]ベンズアルデヒド
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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:
C73 H66 O3 S4
Molecular formula furigana:
C73-H66-O3-S4
Molecular weight:
1119.570
InChI:
InChI=1S/C73H66O3S4/c1-3-5-7-11-43-75-68-51-63(41-38-59-29-25-55(26-30-59)19-22-57-32-35-61(52-74)36-33-57)69(76-44-12-8-6-4-2)50-62(68)40-37-58-27-23-54(24-28-58)16-15-53-17-20-56(21-18-53)31-34-60-39-42-66-67(49-60)71(73-79-47-48-80-73)65-14-10-9-13-64(65)70(66)72-77-45-46-78-72/h9-10,13-42,45-52H,3-8,11-12,43-44H2,1-2H3/b16-15+,22-19+,34-31+,40-37+,41-38+
InChI key:
IECCJMLHOIPUMI-LDGXHZBMSA-N
SMILES:
CCCCCCOc1cc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)/c(=C/4\SC=CS4)/c4ccccc4/c/5=C/4\SC=CS4)cc3)cc2)c(OCCCCCC)cc1/C=C/c1ccc(/C=C/c2ccc(C=O)cc2)cc1
Systematic name (3):
4-[(E)-2-[4-[(E)-2-[2,5-ビス(ヘキシルオキシ)-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[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]エテニル]フェニル]エテニル]フェニル]エテニル]フェニル]エテニル]フェニル]エテニル]ベンズアルデヒド
4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-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]エテニル]フェニル}エテニル]フェニル}エテニル]-2,5-ビス(ヘキシルオキシ)フェニル}エテニル]フェニル}エテニル]ベンズアルデヒド
4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-{4-[(1E)-2-[9,10-bis(2H-1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-2-yl]ethenyl]phenyl}ethenyl]phenyl}ethenyl]-2,5-bis(hexyloxy)phenyl}ethenyl]phenyl}ethenyl]benzaldehyde
Other name (1):
4-[(E)-2-[4-[(E)-2-[2,5-Bis(hexyloxy)-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene-2-yl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzaldehyde
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