2-(2-but-2-ynoxyphenyl)sulfonyloctanoic acid

Systemtic Name: 2-(2-but-2-ynoxyphenyl)sulfonyloctanoic acid Openeye Name: 2-(2-but-2-ynoxyphenyl)sulfonyloctanoic acid CAS Name: 2-(2-but-2-ynoxyphenyl)sulfonyloctanoic acid IUPAC Name: 2-(2-but-2-ynoxyphenyl)sulfonyloctanoic acid Traditional Name: 2-(2-but-2-ynoxyphenyl)sulfonylcaprylic acid Formula: C18H24O5S MolecularWeight: 352.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=CC=C1OCC#CC

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=CC=C1OCC#CC

InChI

InChI=1S/C18H24O5S/c1-3-5-7-8-13-17(18(19)20)24(21,22)16-12-10-9-11-15(16)23-14-6-4-2/h9-12,17H,3,5,7-8,13-14H2,1-2H3,(H,19,20)