2-(2-dodecoxycarbonylphenyl)sulfonylethanoic acid

Systemtic Name: 2-(2-dodecoxycarbonylphenyl)sulfonylethanoic acid Openeye Name: 2-(2-dodecoxycarbonylphenyl)sulfonylacetic acid CAS Name: 2-[2-[dodecoxy(oxo)methyl]phenyl]sulfonylacetic acid IUPAC Name: 2-(2-dodecoxycarbonylphenyl)sulfonylacetic acid Traditional Name: 2-(2-lauryloxycarbonylphenyl)sulfonylacetic acid Formula: C21H32O6S MolecularWeight: 412.54018

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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)