sodium 3-(3-nonylphenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(3-nonylphenoxy)propane-1-sulfonate Openeye Name: sodium 3-(3-nonylphenoxy)propane-1-sulfonate CAS Name: sodium 3-(3-nonylphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(3-nonylphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(3-nonylphenoxy)propane-1-sulfonate Formula: C18H29NaO4S MolecularWeight: 364.47523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O4S.Na/c1-2-3-4-5-6-7-8-11-17-12-9-13-18(16-17)22-14-10-15-23(19,20)21;/h9,12-13,16H,2-8,10-11,14-15H2,1H3,(H,19,20,21);/q;+1/p-1