2-(4-pent-2-ynoxyphenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-pent-2-ynoxyphenyl)sulfonylethanoic acid Openeye Name: 2-(4-pent-2-ynoxyphenyl)sulfonylacetic acid CAS Name: 2-(4-pent-2-ynoxyphenyl)sulfonylacetic acid IUPAC Name: 2-(4-pent-2-ynoxyphenyl)sulfonylacetic acid Traditional Name: 2-(4-pent-2-ynoxyphenyl)sulfonylacetic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-2-3-4-9-18-11-5-7-12(8-6-11)19(16,17)10-13(14)15/h5-8H,2,9-10H2,1H3,(H,14,15)