Chem
J-GLOBAL ID：200907088027544317   Nikkaji number：J1.380.116I

(2R)-3,3-Dimethyl-6′-nitrospiro[indoline-2,2′-[2H][1]benzopyran]-1-(propane-1-sulfonic acid)

(2R)-3,3-ジメチル-6′-ニトロスピロ[インドリン-2,2′-[2H][1]ベンゾピラン]-1-(プロパン-1-スルホン酸)
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： C21H22N[N+]O5[O-]S
Molecular formula furigana： C21-H22-N2-O6-S
Molecular weight： 430.480
InChI： InChI=1S/C21H22N2O6S/c1-20(2)17-6-3-4-7-18(17)22(12-5-13-30(26,27)28)21(20)11-10-15-14-16(23(24)25)8-9-19(15)29-21/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
InChI key： WSSRUUUPBPLEFW-OAQYLSRUSA-N
SMILES： CC1(C)c2ccccc2N(CCCS(=O)(=O)O)[C@@]21Oc1ccc(cc1C=C2)[N+](=O)[O-]
Systematic name  (3)：
  • (2R)-3,3-ジメチル-6′-ニトロスピロ[インドリン-2,2′-[2H][1]ベンゾピラン]-1-(プロパン-1-スルホン酸)
  • 3-[(2R)-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]-1'-イル]プロパン-1-スルホン酸
  • 3-[(2R)-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl]propane-1-sulfonic acid
Other name (1)：
  • (2R)-3,3-Dimethyl-6′-nitrospiro[indoline-2,2′-[2H][1]benzopyran]-1-(propane-1-sulfonic acid)
Thsaurus map：
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