The Metacresol purple sodium salt, with the CAS registry number of 62625-31-4, is also known as Phenol, 4, 4'-(2, 2-dioxido-3H-1, 2-benzoxathiol-3-ylidene)bis[3-methyl-, sodium salt(1:1) and m-Cresolsulfonephthalein sodium salt. It belongs to the product categories of Analytical Chemistry; Indicator (pH); pH Indicators. Its EINECS registry number is 263-656-9. This chemical's molecular formula is C₂₁H₁₇NaO₅S and molecular weight is 404.41. What's more, its systematic name is called Sodium 2-[(Z)-(4-hydroxy-2-methylphenyl)(2-methyl-4-oxocyclohexa-2, 5-dien-1-ylidene)methyl]benzenesulfonate. In addition, it should be stored in dry, cool, airtight place. And avoid contact with oxidant, otherwise it would decompose.

Physical properties about Metacresol purple sodium salt are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): -0.51; (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: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 89.05 Å².

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].O=C/3/C=C\C(=C(/c1ccc(O)cc1C)c2ccccc2S([O-])(=O)=O)\C(=C\3)C
(2) InChI: InChI=1/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26;/h3-12,22H,1-2H3,(H,24,25,26);/q;+1/p-1/b21-18-;
(3) InChIKey: BYQJYOOKENJSNK-UHAIEBBXBH