2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[[(2-hydroxyphenyl)methylene]amino]-, sodium salt (1:1) (5941-07-1)

The Azomethine-H Monosodium Salt with the CAS number 5941-07-1 is also called 2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[[(2-hydroxyphenyl)methylene]amino]-, sodium salt (1:1). The IUPAC name is sodium 4-hydroxy-5-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfonaphthalene-2-sulfonate. Its EINECS registry number is 227-698-1. The molecular formula is C₁₇H₁₂NNaO₈S₂. This chemical belongs to the following product categories: (1)API intermediates; (2)Analytical Chemistry; (3)Bipyridyls, etc. (Chelating Reagents); (4)Chelating Reagents.

Properties Computed from Structure: (1)H-Bond Donor 3; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 4; (4)Tautomer Count: 36; (5)Exact Mass: 444.990202; (6)MonoIsotopic Mass: 444.990202; (7)Topological Polar Surface Area: 178; (8)Heavy Atom Count: 29; (9)Formal Charge: 0; (10)Complexity: 930; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 1; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [H+].[Na+].Oc3ccccc3C=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O
(2)InChI: InChI=1/C17H13NO8S2.Na/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14;/h1-9,19-20H,(H,21,22,23)(H,24,25,26);/q;+1/p-1
(3)InChIKey: VDMRMECRCLGIAD-REWHXWOFAF