2-(4-butoxyphenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfonylethanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfonylacetic acid CAS Name: 2-(4-butoxyphenyl)sulfonylacetic acid IUPAC Name: 2-(4-butoxyphenyl)sulfonylacetic acid Traditional Name: 2-(4-butoxyphenyl)sulfonylacetic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C12H16O5S/c1-2-3-8-17-10-4-6-11(7-5-10)18(15,16)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)