sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate

Systemtic Name: sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate Openeye Name: sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate CAS Name: sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate IUPAC Name: sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate Traditional Name: sodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate Formula: C30H46NaO5S- MolecularWeight: 541.73801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC.[O-]S(=O)(=O)[O-].[Na+]

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;/p-2