Chem
J-GLOBAL ID：202007009061280060
Nikkaji number：J3.745.060J
13,18-ジトシル-13,18-ジアザヘプタシクロ[15.11.0.02,14.03,12.04,9.019,28.022,27]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
13,18-ジトシル-13,18-ジアザヘプタシクロ[15.11.0.02,14.03,12.04,9.019,28.022,27]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
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： C40H28N2O4S2
Molecular formula furigana： C40-H28-N2-O4-S2
Molecular weight： 664.790
InChI：
InChI=1S/C40H28N2O4S2/c1-25-11-17-29(18-12-25)47(43,44)41-33-21-15-27-7-3-5-9-31(27)37(33)39-35(41)23-24-36-40(39)38-32-10-6-4-8-28(32)16-22-34(38)42(36)48(45,46)30-19-13-26(2)14-20-30/h3-24H,1-2H3
InChI key：
OWUNCTYIFBTHDH-UHFFFAOYSA-N
SMILES：
c12c3c4c5ccccc5ccc4n(c3ccc1n(c1ccc3ccccc3c21)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
Systematic name (3)：
- 13,18-ジトシル-13,18-ジアザヘプタシクロ[15.11.0.02,14.03,12.04,9.019,28.022,27]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
- 13,18-ビス(4-メチルベンゼンスルホニル)-13,18-ジアザヘプタシクロ[15.11.0.02,14.03,12.04,9.019,28.022,27]オクタコサ-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-トリデカエン
- 13,18-bis(4-methylbenzenesulfonyl)-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
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