2-[4-(3-methylbutoxy)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]sulfonylethanoic acid Openeye Name: 2-(4-isopentyloxyphenyl)sulfonylacetic acid CAS Name: 2-[4-(3-methylbutoxy)phenyl]sulfonylacetic acid IUPAC Name: 2-[4-(3-methylbutoxy)phenyl]sulfonylacetic acid Traditional Name: 2-(4-isoamoxyphenyl)sulfonylacetic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H18O5S/c1-10(2)7-8-18-11-3-5-12(6-4-11)19(16,17)9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)