Chem
J-GLOBAL ID：200907088777601207   Nikkaji number：J382.867K

2-Methyl-4-[4-[[4-(3-methylphenylamino)phenyl][4-(3-methylphenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenylamino]benzenesulfonic acid sodium salt

2-メチル-4-[4-[[4-(3-メチルフェニルアミノ)フェニル][4-(3-メチルフェニルイミノ)-2,5-シクロヘキサジエン-1-イリデン]メチル]フェニルアミノ]ベンゼンスルホン酸ナトリウム
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： C40H34N3NaO3S
Molecular formula furigana： C40-H34-N3-NA-O3-S
Molecular weight： 659.780
InChI： InChI=1S/C40H35N3O3S.Na/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46;/h4-26,41,43H,1-3H3,(H,44,45,46);/q;+1/p-1/b40-31-,42-34-;
InChI key： AZPYKRXGGPEPPI-BDHWXGBOSA-M
SMILES： Cc1cccc(Nc2ccc(cc2)/C(=C/2\C=C/C(=N/c3cccc(C)c3)/C=C2)/c2ccc(Nc3ccc(c(C)c3)S(=O)(=O)O[Na])cc2)c1
Systematic name  (3)：
  • 2-メチル-4-[4-[[4-(3-メチルフェニルアミノ)フェニル][4-(3-メチルフェニルイミノ)-2,5-シクロヘキサジエン-1-イリデン]メチル]フェニルアミノ]ベンゼンスルホン酸ナトリウム
  • ナトリウム 2-メチル-4-{[4-({4-[(3-メチルフェニル)アミノ]フェニル}[(1Z,4Z)-4-[(3-メチルフェニル)イミノ]シクロヘキサ-2,5-ジエン-1-イリデン]メチル)フェニル]アミノ}ベンゼン-1-スルホナート
  • sodium 2-methyl-4-{[4-({4-[(3-methylphenyl)amino]phenyl}[(1Z,4Z)-4-[(3-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene]methyl)phenyl]amino}benzene-1-sulfonate
Other name (1)：
  • 2-Methyl-4-[4-[[4-(3-methylphenylamino)phenyl][4-(3-methylphenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenylamino]benzenesulfonic acid sodium salt
CAS registry number： 95873-55-5
Regulation number (1)：
  • EINECS3060455
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