Chem
J-GLOBAL ID：201807000006458807   Nikkaji number：J3.721.586D

4,4′-(7,8,9,9c-Tetrahydro-3aα,9cβ-dimethyl-3aH-3,4-dithia-3H-cyclopenta[a]acenaphthylene-2,5-diyl)bis(benzoic acid hexadecyl) ester

4,4′-(7,8,9,9c-テトラヒドロ-3aα,9cβ-ジメチル-3aH-3,4-ジチア-3H-シクロペンタ[a]アセナフチレン-2,5-ジイル)ビス(安息香酸ヘキサデシル)
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： C61H88O4S2
Molecular formula furigana： C61-H88-O4-S2
Molecular weight： 949.490
InChI： InChI=1S/C61H88O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44-64-58(62)50-40-36-48(37-41-50)56-46-54-52-34-33-35-53(52)55-47-57(67-61(4,66-56)60(54,55)3)49-38-42-51(43-39-49)59(63)65-45-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36-43,46-47H,5-35,44-45H2,1-4H3
InChI key： JKEXPLSAYSAHCZ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1)C1=CC2=C3CCCC3=C3C=C(SC(C)(S1)C23C)c1ccc(cc1)C(=O)OCCCCCCCCCCCCCCCC
Systematic name  (1)：
  • 4,4′-(7,8,9,9c-テトラヒドロ-3aα,9cβ-ジメチル-3aH-3,4-ジチア-3H-シクロペンタ[a]アセナフチレン-2,5-ジイル)ビス(安息香酸ヘキサデシル)
Other name (1)：
  • 4,4′-(7,8,9,9c-Tetrahydro-3aα,9cβ-dimethyl-3aH-3,4-dithia-3H-cyclopenta[a]acenaphthylene-2,5-diyl)bis(benzoic acid hexadecyl) ester
Thsaurus map：
Thesaurus Map

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