2-(2-dodecoxycarbonylphenyl)sulfonylethanoate

Systemtic Name: 2-(2-dodecoxycarbonylphenyl)sulfonylethanoate Openeye Name: 2-(2-dodecoxycarbonylphenyl)sulfonylacetate CAS Name: 2-[2-[dodecoxy(oxo)methyl]phenyl]sulfonylacetate IUPAC Name: 2-(2-dodecoxycarbonylphenyl)sulfonylacetate Traditional Name: 2-(2-lauryloxycarbonylphenyl)sulfonylacetate Formula: C21H31O6S- MolecularWeight: 411.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C21H32O6S/c1-2-3-4-5-6-7-8-9-10-13-16-27-21(24)18-14-11-12-15-19(18)28(25,26)17-20(22)23/h11-12,14-15H,2-10,13,16-17H2,1H3,(H,22,23)/p-1