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sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfuric acid

sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfuric acid

CAS: 9014-90-8

Formula: C30H48NaO5S

SMILES: [Na+].OS(O)(=O)=O.CCCCCCCCCC1=CC=CC=C1OC1=CC=CC=C1CCCCCCCCC

IUPAC: sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfuric acid

InChI: InChI=1S/C30H46O.Na.H2O4S/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;1-5(2,3)4/h17-20,23-26H,3-16,21-22H2,1-2H3;;(H2,1,2,3,4)/q;+1;

Composition: C (66.27%), H (8.90%), Na (4.23%), O (14.71%), S (5.90%)

Molar Mass: 543.76

Atom Count: 85

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 543.31146652
Formal Charge 1
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey ZZMDMGNQUXYKQX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 136
Topological Polar Surface Area 9.23
Polarizability 53.79
Ring Count 2
Rotatable Bond Count 18

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