Chem
J-GLOBAL ID：200907097162215179   Nikkaji number：J1.674.700I

1,3,3-Trimethyl-6′-nitro-8′-(1-aza-4,7,10-trithiacyclododecane-1-ylmethyl)spiro[indoline-2,2′-[2H][1]benzopyran]

1,3,3-トリメチル-6′-ニトロ-8′-(1-アザ-4,7,10-トリチアシクロドデカン-1-イルメチル)スピロ[インドリン-2,2′-[2H][1]ベンゾピラン]
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： C28H35N2[N+]O2[O-]S3
Molecular formula furigana： C28-H35-N3-O3-S3
Molecular weight： 557.790
InChI： InChI=1S/C28H35N3O3S3/c1-27(2)24-6-4-5-7-25(24)29(3)28(27)9-8-21-18-23(31(32)33)19-22(26(21)34-28)20-30-10-12-35-14-16-37-17-15-36-13-11-30/h4-9,18-19H,10-17,20H2,1-3H3
InChI key： LGNMUJJHENIJFJ-UHFFFAOYSA-N
SMILES： CN1c2ccccc2C(C)(C)C21Oc1c(CN3CCSCCSCCSCC3)cc(cc1C=C2)[N+](=O)[O-]
Systematic name  (4)：
  • 1′,3′,3′-トリメチル-6-ニトロ-8-(1,4,7-トリチア-10-アザシクロドデカン-10-イルメチル)-1′,3′-ジヒドロスピロ[2H-1-ベンゾピラン-2,2′-[2H]インドール]
  • 1,3,3-トリメチル-6′-ニトロ-8′-(1-アザ-4,7,10-トリチアシクロドデカン-1-イルメチル)スピロ[インドリン-2,2′-[2H][1]ベンゾピラン]
  • 1',3',3'-トリメチル-6-ニトロ-8-[(1,4,7-トリチア-10-アザシクロドデカン-10-イル)メチル]-1',3'-ジヒドロスピロ[クロメン-2,2'-インドール]
  • 1',3',3'-trimethyl-6-nitro-8-[(1,4,7-trithia-10-azacyclododecan-10-yl)methyl]-1',3'-dihydrospiro[chromene-2,2'-indole]
Other name (2)：
  • 1′,3′,3′-Trimethyl-6-nitro-8-(1,4,7-trithia-10-azacyclododecane-10-ylmethyl)-1′,3′-dihydrospiro[2H-1-benzopyran-2,2′-[2H]indole]
  • 1,3,3-Trimethyl-6′-nitro-8′-(1-aza-4,7,10-trithiacyclododecane-1-ylmethyl)spiro[indoline-2,2′-[2H][1]benzopyran]
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