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6406-30-0

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Basic Information
CAS No.: 6406-30-0
Name: disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate
Molecular Structure:
Molecular Structure of 6406-30-0 (disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate)
Formula: C32H21N5Na2O6S2
Molecular Weight: 681.6486
Synonyms: Disodium 8-anilino-5-{[4-(phenyldiazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1-sulfonate;C.I. Acid blue 116 (7CI);C.I. Acid blue 116, disodium salt (8CI);
EINECS: 229-026-2
PSA: 192.63000
LogP: 10.61020
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    6406-30-0

    disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate

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  • disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate

  • Casno:

    6406-30-0

    disodium 8-(phenylamino)-5-[[4-(phenylazo)-7-sulphonato-1-naphthyl]azo]naphthalenesulphonate

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Specification

The Disodium 8-(phenylamino)-5-((4-(phenylazo)-7-sulphonato-1-naphthyl)azo)naphthalenesulphonate, with the CAS registry number 6406-30-0, is also known as Disodium 8-anilino-5-{[4-(phenyldiazenyl)-7-sulfonato-1-naphthyl]diazenyl}naphthalene-1-sulfonate. Its EINECS registry number is 229-026-2. This chemical's molecular formula is C32H21N5Na2O6S2 and molecular weight is 681.6486. What's more, its IUPAC name is Disodium 8-anilino-5-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.

Physical properties about Disodium 8-(phenylamino)-5-((4-(phenylazo)-7-sulphonato-1-naphthyl)azo)naphthalenesulphonate are: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 6; (4)Tautomer Count: 3; (5)Exact Mass: 681.072864; (6)MonoIsotopic Mass: 681.072864; (7)Topological Polar Surface Area: 193; (8)Heavy Atom Count: 47; (9)Formal Charge: 0; (10)Complexity: 1230; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc6c(cc1)c(/N=N/c2ccccc2)ccc6/N=N/c3c5c(c(cc3)Nc4ccccc4)c(ccc5)S([O-])(=O)=O
(2) InChI: InChI=1/C32H23N5O6S2.2Na/c38-44(39,40)23-14-15-24-26(20-23)29(17-16-27(24)35-34-22-10-5-2-6-11-22)37-36-28-18-19-30(33-21-8-3-1-4-9-21)32-25(28)12-7-13-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b35-34+,37-36+;;
(3) InChIKey: CEEVGWJZICQAEK-OENIWGMSBU