Chem
J-GLOBAL ID：201607002910562485   Nikkaji number：J3.510.804A

(3R,7R)-1,9-Bis[4-(4-nitrophenylsulfonyloxy)phenyl]-3,7-dihydroxy-1,8-nonadiene-5-one

(3R,7R)-1,9-ビス[4-(4-ニトロフェニルスルホニルオキシ)フェニル]-3,7-ジヒドロキシ-1,8-ノナジエン-5-オン
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： C33H28[N+]2O11[O-]2S2
Molecular formula furigana： C33-H28-N2-O13-S2
Molecular weight： 724.710
InChI： InChI=1S/C33H28N2O13S2/c36-27(11-1-23-3-13-30(14-4-23)47-49(43,44)32-17-7-25(8-18-32)34(39)40)21-29(38)22-28(37)12-2-24-5-15-31(16-6-24)48-50(45,46)33-19-9-26(10-20-33)35(41)42/h1-20,27-28,36-37H,21-22H2/t27-,28-/m0/s1
InChI key： MVQWTMWVLSCJLV-NSOVKSMOSA-N
SMILES： O[C@H](CC(=O)C[C@@H](O)C=Cc1ccc(OS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])cc1)C=Cc1ccc(OS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])cc1
Systematic name  (3)：
  • (3R,7R)-1,9-ビス[4-(4-ニトロフェニルスルホニルオキシ)フェニル]-3,7-ジヒドロキシ-1,8-ノナジエン-5-オン
  • 4-[(3R,7R)-3,7-ジヒドロキシ-9-{4-[(4-ニトロベンゼンスルホニル)オキシ]フェニル}-5-オキソノナ-1,8-ジエン-1-イル]フェニル 4-ニトロベンゼン-1-スルホナート
  • 4-[(3R,7R)-3,7-dihydroxy-9-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}-5-oxonona-1,8-dien-1-yl]phenyl 4-nitrobenzene-1-sulfonate
Other name (1)：
  • (3R,7R)-1,9-Bis[4-(4-nitrophenylsulfonyloxy)phenyl]-3,7-dihydroxy-1,8-nonadiene-5-one
Thsaurus map：
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