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

Systemtic Name: disodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate Openeye Name: disodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate CAS Name: disodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate IUPAC Name: disodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate Traditional Name: disodium 1-nonyl-2-(2-nonylphenoxy)benzene sulfate Formula: C60H92Na2O6S MolecularWeight: 987.41342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C30H46O.2Na.H2O4S/c2*1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h2*17-20,23-26H,3-16,21-22H2,1-2H3;;;(H2,1,2,3,4)/q;;2*+1;/p-2