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63270-28-0

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Basic Information
CAS No.: 63270-28-0
Name: Disodium 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonate)
Molecular Structure:
Molecular Structure of 63270-28-0 (Disodium 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonate))
Formula: C15H14Na2O11S2
Molecular Weight: 478.36
Synonyms: Benzenesulfonicacid, 3-hydroxy-2-(2-hydroxy-4-methoxysulfobenzoyl)-5-methoxy-, disodium salt(9CI);
EINECS: 264-062-2
PSA: 207.15000
LogP: 2.40760
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Specification

The Disodium 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonate), with CAS registry number 63270-28-0, belongs to the following product category: Aromatic Benzophenones & Derivatives (substituted). It has the systematic name of disodium 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonate). And the chemical formula of this chemical is C15H14Na2O11S2. What's more, its EINECS is 264-062-2.

Physical properties of Disodium 3,3'-carbonylbis(4-hydroxy-6-methoxybenzenesulfonate): (1)ACD/LogP: -1.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.38; (4)ACD/LogD (pH 7.4): -7.76; (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: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 179.49 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(c(O)cc1OC)C(=O)c2c(O)cc(OC)c(c2)S([O-])(=O)=O
(2)InChI: InChI=1/C15H14O11S2.2Na/c1-25-11-5-9(16)7(3-13(11)27(19,20)21)15(18)8-4-14(28(22,23)24)12(26-2)6-10(8)17;;/h3-6,16-17H,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
(3)InChIKey: QDCHWIWENYCPIL-NUQVWONBAE
(4)Std. InChI: InChI=1S/C15H14O11S2.2Na/c1-25-11-5-9(16)7(3-13(11)27(19,20)21)15(18)8-4-14(28(22,23)24)12(26-2)6-10(8)17;;/h3-6,16-17H,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
(5)Std. InChIKey: QDCHWIWENYCPIL-UHFFFAOYSA-L