Chem
J-GLOBAL ID：201207023869657285
Nikkaji number：J3.004.361H
(aS)-2,2′-Bis[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyloxy]-6,6′-bis[4-(4-pentylcyclohexyl)phenyl]-1,1′-binaphthalene
(aS)-2,2′-ビス[12-[4-(4-ペンチルシクロヘキシル)フェノキシ]ドデシルオキシ]-6,6′-ビス[4-(4-ペンチルシクロヘキシル)フェニル]-1,1′-ビナフタレン
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： C112H158O4
Molecular formula furigana： C112-H158-O4
Molecular weight： 1568.492
InChI：
InChI=1S/C112H158O4/c1-5-9-29-37-87-41-49-91(50-42-87)95-57-61-99(62-58-95)101-69-77-107-103(85-101)71-79-109(115-83-35-27-23-19-15-13-17-21-25-33-81-113-105-73-65-97(66-74-105)93-53-45-89(46-54-93)39-31-11-7-3)111(107)112-108-78-70-102(100-63-59-96(60-64-100)92-51-43-88(44-52-92)38-30-10-6-2)86-104(108)72-80-110(112)116-84-36-28-24-20-16-14-18-22-26-34-82-114-106-75-67-98(68-76-106)94-55-47-90(48-56-94)40-32-12-8-4/h57-80,85-94H,5-56,81-84H2,1-4H3
InChI key：
LJJMMWQTKWASDM-UHFFFAOYSA-N
SMILES：
CCCCCC1CCC(CC1)c1ccc(OCCCCCCCCCCCCOc2ccc3cc(ccc3c2c2c(OCCCCCCCCCCCCOc3ccc(cc3)C3CCC(CCCCC)CC3)ccc3cc(ccc23)c2ccc(cc2)C2CCC(CCCCC)CC2)c2ccc(cc2)C2CCC(CCCCC)CC2)cc1
Systematic name (1)：
- (aS)-2,2′-ビス[12-[4-(4-ペンチルシクロヘキシル)フェノキシ]ドデシルオキシ]-6,6′-ビス[4-(4-ペンチルシクロヘキシル)フェニル]-1,1′-ビナフタレン
- (aS)-2,2′-Bis[12-[4-(4-pentylcyclohexyl)phenoxy]dodecyloxy]-6,6′-bis[4-(4-pentylcyclohexyl)phenyl]-1,1′-binaphthalene
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