sodium 4-(4-octylphenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(4-octylphenoxy)butane-1-sulfonate Openeye Name: sodium 4-(4-octylphenoxy)butane-1-sulfonate CAS Name: sodium 4-(4-octylphenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(4-octylphenoxy)butane-1-sulfonate Traditional Name: sodium 4-(4-octylphenoxy)butane-1-sulfonate Formula: C18H29NaO4S MolecularWeight: 364.47523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O4S.Na/c1-2-3-4-5-6-7-10-17-11-13-18(14-12-17)22-15-8-9-16-23(19,20)21;/h11-14H,2-10,15-16H2,1H3,(H,19,20,21);/q;+1/p-1