[4-(4-phenylmethoxyphenyl)sulfonylphenyl] hexadecane-1-sulfonate

Systemtic Name: [4-(4-phenylmethoxyphenyl)sulfonylphenyl] hexadecane-1-sulfonate Openeye Name: [4-(4-benzyloxyphenyl)sulfonylphenyl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [4-(4-phenylmethoxyphenyl)sulfonylphenyl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [4-(4-benzoxyphenyl)sulfonylphenyl] ester Formula: C35H48O6S2 MolecularWeight: 628.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C35H48O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-29-42(36,37)41-33-23-27-35(28-24-33)43(38,39)34-25-21-32(22-26-34)40-30-31-19-16-15-17-20-31/h15-17,19-28H,2-14,18,29-30H2,1H3