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Basic Information
CAS No.: 50880-65-4
Name: trisodium 3-hydroxy-4-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
Molecular Structure:
Molecular Structure of 50880-65-4 (trisodium 3-hydroxy-4-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate)
Formula: C16H12N2O10S3.3Na
Molecular Weight: 554.41
Synonyms: 2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[(4-sulfophenyl)azo]-, trisodium salt (9CI);Sulf-R-azo;1-p-Sulfophenylazo-2-naphthol-3,6-disulfonic acid, trisodium salt;2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4-sulfophenyl)azo)-, trisodium salt;3-Hydroxy-4-((4-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, trisodium salt;Trisodium 3-hydroxy-4-((4-sulphonatophenyl)azo)naphthalene-2,7-disulphonate;CID9577355;
EINECS: 256-824-8
PSA: 238.20000
LogP: 3.09520
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Specification

The 2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3) with CAS registry number of 50880-65-4 is also known as 3-Hydroxy-4-((4-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, trisodium salt. The systematic name is Trisodium 3-hydroxy-4-(4-sulfonatophenyl)azo-naphthalene-2,7-disulfonate. Its EINECS registry number is 256-824-8. In addition, the formula is C16H12N2O10S3.3Na and the molecular weight is 554.41.

Physical properties about 2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3) are: (1)#H bond acceptors: 12; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 241.69Å2.

You can still convert the following datas into molecular structure:
1. SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccc(cc3cc(c2O)S([O-])(=O)=O)S([O-])(=O)=O
2. InChI: InChI=1/C16H12N2O10S3.3Na/c19-16-14(31(26,27)28)8-9-7-12(30(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)29(20,21)22;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3
3. InChIKey: GLLLQTBFKJTGJH-DFZHHIFOAP
4. Std. InChI: InChI=1S/C16H12N2O10S3.3Na/c19-16-14(31(26,27)28)8-9-7-12(30(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)29(20,21)22;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3
5. Std. InChIKey: GLLLQTBFKJTGJH-UHFFFAOYSA-K