chempirical

C.I. Acid green 16

C31H33N2NaO6S2CAS 12768-78-4616.72 g/mol

Open in Covalent MOL file
NN+SOOO−SOOO−Na+
AlkeneSulfonic acidTertiary amine

Properties

Molecular formula
C31H33N2NaO6S2
Molar mass
616.72 g/mol
Exact mass
616.1678 Da
logP
1.92Crippen estimate
Polar surface area
120.7 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
9

Hazards

Not classified as hazardous under GHS by 2,011 ECHA notifiers. Aggregated from 2,011 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
12768-78-4
SMILES
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
InChIKey
UWGCNDBLFSEBDW-UHFFFAOYSA-M
InChI
InChI=1S/C31H34N2O6S2.Na/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30;/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39);/q;+1/p-1

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

Names and synonyms

47 names · show all
  • Amido green V
  • Acid pure green V
  • Acid green zh
  • Naphthalene green V
  • Lissamine green V
  • Daiwa green 70
  • 2,7-Naphthalenedisulfonic acid, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Et- or N-Me-quaternized, hydroxide, inner salt, sodium salt
  • Naphthalene green Y
  • Duasyn acid green VS
  • Sandolan brilliant green E-BI
  • Naphthalene green VSC
  • BRYacid Green V
  • Naphthazine brilliant green G
  • Covalene brilliant green G
  • Simacid acid green
  • Triacid pure green V
  • Colocid green V
  • Vicoacid green V
  • Leoctan green J
  • Everlan green EV
  • Pacid green V
  • Best acid naphthalene green V
  • Acid green VS
  • Anadurm green A-V
  • Dycosacid green VS
  • Triacor green VT
  • Lecotan green J
  • Acid green V
  • Ravi acid green V
  • Dyacid green B
  • Dinacid green V
  • Ratna acid green V
  • Libacid green LV
  • Borunil green A-FG
  • Sandolan brilliant green E-B
  • Hispacid brilliant green SA 2G
  • Indacid green V
  • Acid naphthalene green V
  • Kemacid green V
  • Ichoacid green V
  • Acid green V naphthaline
  • Lissamine green V 200
  • Acid green 16
  • Erio green B
  • Merantine green V
  • Naphthalene green VS
  • Duasyn acid green V

Work with C.I. Acid green 16

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

Acid blue 1129-17-977 % similar Acid violet 174129-84-466 % similar C.I. Acid blue 1116-95-064 % similar Brilliant blue FCF3844-45-959 % similar Brilliant green (dye)633-03-454 % similar Acid violet 491694-09-354 % similar Japan Blue 1 aluminum lake68921-42-652 % similar Brilliant blue R6104-59-251 % similar

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

Elsewhere

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