2-(4-dodecoxyphenyl)sulfonylbutanoic acid

Systemtic Name: 2-(4-dodecoxyphenyl)sulfonylbutanoic acid Openeye Name: 2-(4-dodecoxyphenyl)sulfonylbutanoic acid CAS Name: 2-(4-dodecoxyphenyl)sulfonylbutanoic acid IUPAC Name: 2-(4-dodecoxyphenyl)sulfonylbutanoic acid Traditional Name: 2-(4-lauryloxyphenyl)sulfonylbutyric acid Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(CC)C(=O)O

InChI

InChI=1S/C22H36O5S/c1-3-5-6-7-8-9-10-11-12-13-18-27-19-14-16-20(17-15-19)28(25,26)21(4-2)22(23)24/h14-17,21H,3-13,18H2,1-2H3,(H,23,24)