4-[1-(4-methylphenoxy)-3-octoxy-propan-2-yl]oxybutane-1-sulfonate

Systemtic Name: 4-[1-(4-methylphenoxy)-3-octoxy-propan-2-yl]oxybutane-1-sulfonate Openeye Name: 4-[1-[(4-methylphenoxy)methyl]-2-octoxy-ethoxy]butane-1-sulfonate CAS Name: 4-[1-(4-methylphenoxy)-3-octoxypropan-2-yl]oxy-1-butanesulfonate IUPAC Name: 4-[1-(4-methylphenoxy)-3-octoxypropan-2-yl]oxybutane-1-sulfonate Traditional Name: 4-[1-[(4-methylphenoxy)methyl]-2-octoxy-ethoxy]butane-1-sulfonate Formula: C22H37O6S- MolecularWeight: 429.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(COC1=CC=C(C=C1)C)OCCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOCC(COC1=CC=C(C=C1)C)OCCCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H38O6S/c1-3-4-5-6-7-8-15-26-18-22(27-16-9-10-17-29(23,24)25)19-28-21-13-11-20(2)12-14-21/h11-14,22H,3-10,15-19H2,1-2H3,(H,23,24,25)/p-1