2-Naphthalenesulfonicacid, 4,6-dihydroxy-, sodium salt (1:1) (83732-66-5)

The Sodium 2,8-dihydroxynaphthalene-6-sulfonate with the CAS number 83732-66-5 is also called 2-Naphthalenesulfonicacid, 4,6-dihydroxy-, sodium salt (1:1). Both the systematic name and IUPAC name are sodium 4,6-dihydroxynaphthalene-2-sulfonate. Its EINECS registry number is 280-616-6. The molecular formula is C₁₀H₇NaO₅S. The product category is Intermediates of Dyes and Pigments.

The properties of the chemical are: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.44; (4)ACD/LogD (pH 7.4): -4.47; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.21 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c1cc(O)c2c(c1)ccc(O)c2
(2)InChI: InChI=1/C10H8O5S.Na/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1
(3)InChIKey: KJIKTXVDOGQVIJ-REWHXWOFAE