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

Systemtic Name: sodium; 1-nonyl-2-(2-nonylphenoxy)benzene; octyl sulfate; sulfate Openeye Name: sodium; 1-nonyl-2-(2-nonylphenoxy)benzene; octyl sulfate; sulfate CAS Name: sodium; 1-nonyl-2-(2-nonylphenoxy)benzene; octyl sulfate; sulfate IUPAC Name: sodium; 1-nonyl-2-(2-nonylphenoxy)benzene; octyl sulfate; sulfate Traditional Name: sodium; 1-nonyl-2-(2-nonylphenoxy)benzene; octyl sulfate; sulfate Formula: C38H63NaO9S2-2 MolecularWeight: 751.02119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46O.C8H18O4S.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;1-2-3-4-5-6-7-8-12-13(9,10)11;;1-5(2,3)4/h17-20,23-26H,3-16,21-22H2,1-2H3;2-8H2,1H3,(H,9,10,11);;(H2,1,2,3,4)/q;;+1;/p-3