Zinc Abietate structure

Zinc Abietate

disodium;2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonatoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonate

Also Known As: Zinc Abietate|C.I. Acid Brown 103|EINECS 229-871-7|EINECS 288-088-9|C.I. 10415|Benzenesulfonic acid, 2,2'-((2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino(2-methyl-4,1-phenylene)imino))bis(5-nitro-, disodium salt|Benzenesulfonic acid, 2,2'-((2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino(2-methyl-4,1-phenylene)imino))bis(5-nitro-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis[5-nitro-, disodium salt|Disodium 2,2'-((2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(imino(methyl-p-phenylene)imino))bis(5-nitrobenzenesulphonate)|Benzenesulfonic acid, 2,2'-[(2-methyl-3,6-dioxo- 1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4 ,1-phenylene)imino]]bis[5-nitro-, disodium salt|Benzenesulfonic acid, 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis[5-nitro-, sodium salt (1:2)|Benzenesulfonic acid, 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(methyl-4,1-phenylene)imino]]bis[5-nitro-, disodium salt|Benzenesulfonic acid, 2,2'-[(3-methyl-p-benzoquinon-2,5-ylene)bis[imino(2-methyl-p-phenylene)imino]]bis[5-nitro-, disodium salt|Disodium 2,2'-((2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino(2-methyl-4,1-phenylene)imino))bis(5-nitrobenzenesulphonate)|Disodium 2,2'-[(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)imino]]bis(5-nitrobenzenesulphonate)|DISODIUM 2,2'-[(2-METHYL-3,6-DIOXOCYCLOHEXA-1,4-DIENE-1,4-DIYL)BIS[IMINO(METHYL-P-PHENYLENE)IMINO]]BIS[5-NITROBENZENESULPHONATE]|Disodium 2,2'-{(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[azanediyl(2-methyl-4,1-phenylene)azanediyl]}bis(5-nitrobenzene-1-sulfonate)|disodium 2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonato-anilino)anilino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitro-benzenesulfonate|disodium 2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonatoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonate

CAS: 85650-79-9
Molecular Formula C33H26N6Na2O12S2
Molecular Weight 808.08453 g/mol
LogP -0.74306
Topological Polar Surface Area 282.94 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 16
Rotatable Bonds 12
Exact Mass 808.08453
Monoisotopic Mass 808.08453
Heavy Atoms 55
Complexity 2561.2012

Chemical Identifiers

CAS Number 85650-79-9
SMILES CC1=C(C=CC(=C1)NC2=CC(=O)C(=C(C2=O)C)NC3=CC(=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C)NC5=C(C=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Product Overview

Zinc Abietate (CAS 85650-79-9), with molecular formula C33H26N6Na2O12S2 and molecular weight 808.08453 g/mol. IUPAC: disodium;2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonatoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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