(4-but-2-ynoxyphenyl) 2-sulfonylethanoate

Systemtic Name: (4-but-2-ynoxyphenyl) 2-sulfonylethanoate Openeye Name: (4-but-2-ynoxyphenyl) 2-sulfonylacetate CAS Name: 2-sulfonylacetic acid (4-but-2-ynoxyphenyl) ester IUPAC Name: (4-but-2-ynoxyphenyl) 2-sulfonylacetate Traditional Name: 2-sulfonylacetic acid (4-but-2-ynoxyphenyl) ester Formula: C12H10O5S MolecularWeight: 266.2698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O5S/c1-2-3-8-16-10-4-6-11(7-5-10)17-12(13)9-18(14)15/h4-7,9H,8H2,1H3