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5850-15-7

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Basic Information
CAS No.: 5850-15-7
Name: disodium 4-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1-sulphonate
Molecular Structure:
Molecular Structure of 5850-15-7 (disodium 4-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1-sulphonate)
Formula:  C22H16 N4 O8 S2 . 2 Na
Molecular Weight: 572.47
Synonyms: 1-Naphthalenesulfonicacid, 4-[[2,4-dihydroxy-3-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt(9CI);C.I. Acid Brown 15, disodium salt (8CI);Acid Brown SRN;C.I. 20190;C.I. Acid Brown 15;Colocid Brown 2R;Coriamine Brown CR;Coriamine Brown GR;Formo Brown RTF;Leather Brown GR;Resorcine Brown R;Ritaleather Brown RR;Sandal Acid Brown GR;Sandal Acid Brown HE;
EINECS: 227-446-0
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
PSA: 221.06000
LogP: 7.05160
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  • 5850-15-7 disodium 4-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1-sulphonate

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    5850-15-7 disodium 4-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1-sulphonate

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Specification

The C.I. Acid Brown, with the cas registry number 5850-15-7, has its systematic name of Disodium 4-((2,4-dihydroxy-3-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-1-sulphonate and its IUPAC name of disodium 4-[(2E)-2-[(5E)-4, 6-dioxo-5-[(4-sulfonatophenyl)hydrazinylidene]cyclohex-2-en-1-ylidene].
With the EINECS number 227-446-0, the molecular formula is C22-H16-N4-O8-S2.2Na.

The characteristics of this chemical are as following: (1)#H bond acceptors: 12 ; (2)#H bond donors: 4 ; (3)#Freely Rotating Bonds: 8 ; (4)Polar Surface Area: 221.06 ; (5)Tautomer Count: 17; (6)Exact Mass: 572.004844; (7)MonoIsotopic Mass: 572.004844; (8)Topological Polar Surface Area: 214; (9)Heavy Atom Count: 38; (10)Formal Charge: 0; (11)Complexity: 1150.

In addition, you could convert the following datas into the molecular structure：
(1)SMILES:[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)S([O-])(=O)=O)N=Nc4ccc(c3ccccc34)S([O-])(=O)=O
(2)InChI:InChI=1/C22H16N4O8S2.2Na/c27-19-11-9-18(22(28)21(19)26-23-13-5-7-14(8-6-13)35(29,30)31)25-24-17-10-12-20(36(32,33)34)16-4-2-1-3-15(16)17;;/h1-12,27-28H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
(3)InChIKey:PCUPWMNGSHVQCM-NUQVWONBAA