chempirical

Green S

C27H25N2NaO7S2CAS 3087-16-9576.61 g/mol

Open in Covalent MOL file
NN+OSOOOHSO−O−ONa+
AlkeneKetoneSulfonic acidTertiary amine

Properties

Molecular formula
C27H25N2NaO7S2
Molar mass
576.61 g/mol
Exact mass
576.1001 Da
logP
2.17Crippen estimate
Polar surface area
138.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Identifiers

CAS number
3087-16-9
SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)C=2C(=O)C(S(=O)(=O)O)=CC3=CC(=S([O-])([O-])=O)C=CC23)cc1.[Na+]
InChIKey
WCPVWGORDJAZNB-UHFFFAOYSA-N
InChI
InChI=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);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

48 names · show all
  • Methanaminium, N-[4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1)
  • C.I. Acid green 50
  • Lissamine green BN
  • C.I. Acid Green 50, monosodium salt
  • Methanaminium, N-[4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxide, inner salt, monosodium salt
  • Methanaminium, N-[4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, monosodium salt
  • 12078 Green
  • C.I. 44090
  • Acidal wool green BS
  • Acid brilliant green BS
  • Acid leather green S
  • Acilan green BS
  • Amacid wool green S
  • Bucacid wool green
  • Calcocid green S
  • Calcocid green SB
  • C.I. Food green 4
  • Edicol supra green B
  • Erio green S
  • Hexacol green S
  • Hidacid wool green
  • Kiton green S
  • Naphthazine green S
  • Pharmacid green S
  • Sumitomo wool green S
  • Unitertracid green BS
  • Vondacid green S
  • Water green SX
  • Wool green BS
  • Wool green BSNA
  • Wool green MS
  • Wool green SG
  • Edicol supra green BS
  • Wool green S
  • Lissamine green B
  • Wool green SF
  • Ariavit green S
  • Brilliant acid green BS
  • Green H 002
  • Acid green 50
  • Water green 176558
  • Acid green BS
  • Eurocert green S 312524
  • Dycosacid green BS
  • Acid green RS
  • E 142
  • Green S 44090
  • H 002

Work with Green S

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Crystal violet548-62-936 % similar Malachite green oxalate2437-29-836 % similar Acid blue 33536-49-035 % similar Acid violet 491694-09-334 % similar Malachite green569-64-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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