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Reference substances

Reference substances

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General information

Inventory

EC number:
221-409-2
EC name:
Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt
CAS number:
3087-16-9

No inventory information available

Reference substance information

IUPAC name:
sodium 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-3-hydroxynaphthalene-2,7-disulfonate
Synonyms
Names:
Identifier:
IUPAC name
Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzyli dene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt
Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt

CAS information

CAS number:
3087-16-9

Molecular and structural information

Molecular formula:
C27H26N2O7S2.Na
Molecular weight:
576.623
SMILES notation:
c12c(\C(c3ccc(N(C)C)cc3)=C3/C=C\C(=[N+](/C)C)C=C3)c(O)c(S(=O)(=O)[O-])cc1cc(S(=O)(=O)[O-])cc2.[Na+]
InChl:
1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1
Structural formula:
Chemical structure