sodium 2-(4-methyl-2-nonyl-phenoxy)ethyl sulfate

Systemtic Name: sodium 2-(4-methyl-2-nonyl-phenoxy)ethyl sulfate Openeye Name: sodium 2-(4-methyl-2-nonyl-phenoxy)ethyl sulfate CAS Name: sodium 2-(4-methyl-2-nonylphenoxy)ethyl sulfate IUPAC Name: sodium 2-(4-methyl-2-nonylphenoxy)ethyl sulfate Traditional Name: sodium 2-(4-methyl-2-nonyl-phenoxy)ethyl sulfate Formula: C18H29NaO5S MolecularWeight: 380.47463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=CC(=C1)C)OCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCC1=C(C=CC(=C1)C)OCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O5S.Na/c1-3-4-5-6-7-8-9-10-17-15-16(2)11-12-18(17)22-13-14-23-24(19,20)21;/h11-12,15H,3-10,13-14H2,1-2H3,(H,19,20,21);/q;+1/p-1