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94333-61-6

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Basic Information
CAS No.: 94333-61-6
Name: 6-BENZOYL-2-NAPHTHYL SULFATE, POTASSIUM SALT
Molecular Structure:
Molecular Structure of 94333-61-6 (6-BENZOYL-2-NAPHTHYL SULFATE, POTASSIUM SALT)
Formula: C17H11KO5S
Molecular Weight: 366.43
Synonyms: Methanone,phenyl[6-(sulfooxy)-2-naphthalenyl]-, potassium salt (9CI);6-Benzoyl-2-naphthyl sulfate, potassium salt;Potassium 6-(phenylcarbonyl)naphthalen-2-yl sulfate;Phenyl[6-[[(potassiooxy)sulfonyl]oxy]-2-naphtyl] ketone;
EINECS: 305-041-0
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Specification

The Methanone,phenyl[6-(sulfooxy)-2-naphthalenyl]-, potassium salt (1:1), with the CAS registry number 94333-61-6, is also known as 6-Benzoyl-2-naphthyl sulfate, potassium salt. Its EINECS number is 305-041-0. This chemical's molecular formula is C17H11KO5S and molecular weight is 366.43. What's more, its systematic name is Potassium 6-(phenylcarbonyl)naphthalen-2-yl sulfate. 

Physical properties of Methanone,phenyl[6-(sulfooxy)-2-naphthalenyl]-, potassium salt (1:1) are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.01; (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: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 89.05 Å2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)OS(=O)(=O)[O-].[K+]
(2)InChI: InChI=1S/C17H12O5S.K/c18-17(12-4-2-1-3-5-12)15-7-6-14-11-16(22-23(19,20)21)9-8-13(14)10-15;/h1-11H,(H,19,20,21);/q;+1/p-1
(3)InChIKey: QDFLHEXSNOIYQU-UHFFFAOYSA-M