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Erio Green B (Technical Grade)

CAT: 0572-TRC-E600093-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E600093-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
12768-78-4
Hazard Statement
No Data Available
Smiles
[Na+].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-]
Molecular Formula
C31 H33 N2 O6 S2 . Na
Molecular Weight
616.72
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
Additionnal Information
IUPAC name: sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2,7-disulfonate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acid Green 16

a triarylmethane dye

CAS Number12768-78-4
PubChem CID160685
IUPAC Namesodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2,7-disulfonate
Molecular FormulaC31H33N2NaO6S2
Molecular Weight616.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1170
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+]
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
InChIKey
UWGCNDBLFSEBDW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acid Green 16
CAS: 12768-78-4
CID: 160685
Formula: C31H33N2NaO6S2
MW: 616.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass616.16777341
Monoisotopic Mass616.16777341
Topological Polar Surface Area137 Ų
Heavy Atom Count42
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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