The New coccine is an organic compound with the formula C₂₀H₁₁N₂Na₃O₁₀S₃. The IUPAC name of this chemical is trisodium(8Z)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate. With the CAS registry number 2611-82-7, it is also named as Trisodium 1-(1-naphthylazo)-2-hydroxynaphthalene-4',6,8-trisulphonate. The product's categories are Organics; Analytical Chemistry; Food Colors by Food Sanitation Law in Japan. Besides, it is a deep red powder, which should be stored in a closed cool and dry place. It is used for dyeing wool, silk, nylon, leather, paper, plastic, wood, medicine and cosmetics. What's more, it can also be used to make ink.

Physical properties about New coccine are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 233.2 Å².

Preparation: this chemical can be prepared by 1,4-amino-naphthalene sulfonic acid and 2-naphthol-6, 8-disulfonic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c4ccc(/N=N/c1c2c(ccc1O)cc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34
(2)InChI: InChI=1/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
(3)InChIKey: SWGJCIMEBVHMTA-DFZHHIFOAW
(4)Std. InChI: InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
(5)Std. InChIKey: SWGJCIMEBVHMTA-UHFFFAOYSA-K

The toxicity data is as follows: