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C37H34N2Na2O10S3CAS 2353-45-9808.84 g/mol

Open in Covalent MOL file
NSO−OOOSO−OONSOOOHNa+Na+
AlkeneKetoneSulfonic acidTertiary amine

Properties

Molecular formula
C37H34N2Na2O10S3
Molar mass
808.84 g/mol
Exact mass
808.1171 Da
logP
5.18Crippen estimate
Polar surface area
186.7 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
13

Identifiers

CAS number
2353-45-9
SMILES
CCN(Cc1cccc(S([O-])(=O)=O)c1)c1ccc(C(=C2C=CC(=O)C=C2S([O-])(=O)=O)c2ccc(N(CC)Cc3cccc(S(=O)(=O)O)c3)cc2)cc1.[Na+].[Na+]
InChIKey
YRUZSVVTJGOHFT-UHFFFAOYSA-N
InChI
InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;

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Names and synonyms

20 names · show all
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)
  • C.I. Food Green 3, disodium salt
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-hydroxy-2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, disodium salt
  • C.I. Food green 3
  • C.I. 42053
  • FD and C green no. 3
  • Food green 3
  • FD&C green no. 3
  • Japan green 3
  • Japan green no. 3
  • FDC Green 3
  • Food green no. 3
  • NSC 379443
  • Japan food green no. 3
  • Green no. 3
  • Fast green
  • Fast green E 143
  • E 143
  • Puricolor green U 3

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

Elsewhere

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