sodium 1-[1-(2-octylphenoxy)ethoxy]ethanesulfonic acid

Systemtic Name: sodium 1-[1-(2-octylphenoxy)ethoxy]ethanesulfonic acid Openeye Name: sodium 1-[1-(2-octylphenoxy)ethoxy]ethanesulfonic acid CAS Name: sodium 1-[1-(2-octylphenoxy)ethoxy]ethanesulfonic acid IUPAC Name: sodium 1-[1-(2-octylphenoxy)ethoxy]ethanesulfonic acid Traditional Name: sodium 1-[1-(2-octylphenoxy)ethoxy]ethanesulfonic acid Formula: C18H30NaO5S+ MolecularWeight: 381.48257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC(C)OC(C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC(C)OC(C)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H30O5S.Na/c1-4-5-6-7-8-9-12-17-13-10-11-14-18(17)23-15(2)22-16(3)24(19,20)21;/h10-11,13-16H,4-9,12H2,1-3H3,(H,19,20,21);/q;+1