chempirical

Direct yellow 12

C30H26N4Na2O8S2CAS 2870-32-8680.66 g/mol

Open in Covalent MOL file
ONNNNOSO−OOSO−OONa+Na+
AlkeneAzoEtherSulfonic acid

Properties

Molecular formula
C30H26N4Na2O8S2
Molar mass
680.66 g/mol
Exact mass
680.0987 Da
logP
7.22Crippen estimate
Polar surface area
176.6 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
12

Identifiers

CAS number
2870-32-8
SMILES
CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S([O-])(=O)=O)c(S([O-])(=O)=O)c2)cc1.[Na+].[Na+]
InChIKey
VOICIIARQRFWIW-UHFFFAOYSA-N
InChI
InChI=1S/C30H28N4O8S2.2Na/c1-3-41-27-15-11-23(12-16-27)31-33-25-9-7-21(29(19-25)43(35,36)37)5-6-22-8-10-26(20-30(22)44(38,39)40)34-32-24-13-17-28(18-14-24)42-4-2;;/h5-20H,3-4H2,1-2H3,(H,35,36,37)(H,38,39,40);;

Weigh it out

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

Names and synonyms

55 names · show all
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[2-(4-ethoxyphenyl)diazenyl]-, sodium salt (1:2)
  • Kayaku chrysophenine GN
  • Kayaku chrysophenine GX
  • Mitsui chrysophenine G
  • Mitsui chrysophenine KG
  • Mitsui chrysophenine G 400
  • Nylomine acid yellow C 4R
  • Peeramine chrysophenine YA
  • Pontamine yellow CH
  • Shikiso chrysophenine GX
  • Tertrodirect yellow CG
  • Chrysophenine G
  • Chrysophenine J
  • Vondacel yellow CG
  • Direct chrysophenine G
  • Chrysophenine KG conc
  • Kayaku chrysophenine
  • Chrysophrenin G
  • Direct frozen yellow G
  • Direct frosted yellow G
  • Chrysophenine yellow
  • Kayafect yellow S
  • NSC 47745
  • Direct yellow G
  • LA 1120
  • C.I. Direct yellow 12
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[(4-ethoxyphenyl)azo]-, disodium salt
  • C.I. 24895
  • Airedale yellow CHD
  • Amanil chrysophenine G
  • Atlantic chrysophenine YA
  • Aurophenine O
  • Benzanil yellow CH
  • Benzo yellow LG
  • Calcomine brilliant yellow
  • Chrome leather yellow CH
  • Chrysophenine
  • Chrysophenine Y
  • Chrysophenine ESP
  • Chrysophenine extra
  • Chrysophenine G extra
  • Chrysophenine GP
  • Chrysophenine NS
  • Chrysophenine YA-CF
  • Cotton yellow CH
  • Diazamine yellow C
  • Diphenyl chrysoine 3G
  • Direct yellow C
  • Direct yellow CHD
  • Direct yellow CV
  • Erie yellow Y
  • Diphenyl chrysoine 3GP
  • Fenamin yellow CP
  • Fixanol yellow 3G
  • Kayaku chrysophenine GE

Work with Direct yellow 12

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

Direct yellow 43051-11-463 % similar Fluorescent brightener 8512224-06-543 % similar Disodium 4-acetamido-4′-isothiocyanatostilbene-2,2′-disulfonate51023-76-842 % similar C.I. Fluorescent brightener 26016090-02-142 % similar Sodium 4-[[4-(diethylamino)phenyl]azo]benzenesulfonate62758-12-739 % similar Disodium 4-formyl-1,3-benzenedisulfonate33513-44-938 % similar Azoxyphenetole4792-83-038 % similar Congo red573-58-038 % similar

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

Elsewhere

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