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68081-81-2

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Basic Information
CAS No.: 68081-81-2
Name: Sodium (C10-16)alkylbenzenesulfonate
Molecular Structure:
Molecular Structure of 68081-81-2 (Sodium (C10-16)alkylbenzenesulfonate)
Formula: C17H27NaO3S
Molecular Weight: 334.4492
Synonyms: (C10-C16) Alkylbenzenesulfonic acid sodium salt;Sodium (C10-16)alkylbenzenesulfonate;sodiummonoalkylbenzenesulfonate(alkyl=c10toc16);
EINECS: 268-356-1
PSA: 65.58000
LogP: 5.91570
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Specification

The Sodium (C10-16)alkylbenzenesulfonate with cas registry number of 68081-81-2, has the systematic name of sodium 4-(1-ethylnonyl)benzenesulfonate. Its other registry number is 67762-46-3. And its IUPAC name is sodium 4-undecan-3-ylbenzenesulfonate. Besides this, it is also named mono(c10-16)alkylbenzenesulfonic acid sodium salt.

Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 65.58 Å2.

You can still convert the following datas into molecular structure: 
(1)SMILES: [Na+].[O-]S(=O)(=O)c1ccc(cc1)C(CCCCCCCC)CC;
(2)InChI: InChI=1/C17H28O3S.Na/c1-3-5-6-7-8-9-10-15(4-2)16-11-13-17(14-12-16)21(18,19)20;/h11-15H,3-10H2,1-2H3,(H,18,19,20);/q;+1/p-1;
(3)InChIKey: HUKUZKXWBQJYTO-REWHXWOFAV;
(4)Std. InChI: InChI=1S/C17H28O3S.Na/c1-3-5-6-7-8-9-10-15(4-2)16-11-13-17(14-12-16)21(18,19)20;/h11-15H,3-10H2,1-2H3,(H,18,19,20);/q;+1/p-1;
(5)Std. InChIKey: HUKUZKXWBQJYTO-UHFFFAOYSA-M