Chem
J-GLOBAL ID：200907020069390626
Nikkaji number：J1.953.300J
7,16-Bis[3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′(3′H)-[1H]indole]-8-ylmethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
7,16-ビス[3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′(3′H)-[1H]インドール]-8-イルメチル]-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
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： C50H58N4[N+]2O8[O-]2
Molecular formula furigana： C50-H58-N6-O10
Molecular weight： 903.046
InChI：
InChI=1S/C50H58N6O10/c1-47(2)41-9-5-7-11-43(41)51-49(47)15-13-35-29-39(55(57)58)31-37(45(35)65-49)33-53-17-21-61-25-27-63-23-19-54(20-24-64-28-26-62-22-18-53)34-38-32-40(56(59)60)30-36-14-16-50(66-46(36)38)48(3,4)42-10-6-8-12-44(42)52-50/h5-16,29-32,51-52H,17-28,33-34H2,1-4H3
InChI key：
VTTZDAMXRXOJLU-UHFFFAOYSA-N
SMILES：
CC1(C)c2ccccc2NC21Oc1c(CN3CCOCCOCCN(Cc4cc(cc5C=CC6(Nc7ccccc7C6(C)C)Oc45)[N+](=O)[O-])CCOCCOCC3)cc(cc1C=C2)[N+](=O)[O-]
Systematic name (4)：
- 8,8′′-(1,10-ジアザ-4,7,13,16-テトラオキサシクロオクタデカン-1,10-ジイルビスメチレン)ビス[3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′(3′H)-[1H]インドール]]
- 7,16-ビス[3′,3′-ジメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′(3′H)-[1H]インドール]-8-イルメチル]-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
- 8-{[16-({3',3'-ジメチル-6-ニトロ-1',3'-ジヒドロスピロ[クロメン-2,2'-インドール]-8-イル}メチル)-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン-7-イル]メチル}-3',3'-ジメチル-6-ニトロ-1',3'-ジヒドロスピロ[クロメン-2,2'-インドール]
- 8-{[16-({3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-8-yl}methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]methyl}-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
- 8,8′′-(1,10-Diaza-4,7,13,16-tetraoxacyclooctadecane-1,10-diylbismethylene)bis[3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′(3′H)-[1H]indole]]
- 7,16-Bis[3′,3′-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2′(3′H)-[1H]indole]-8-ylmethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
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