2-(4-but-2-ynoxyphenyl)sulfonyl-2-(thian-4-yl)butanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(thian-4-yl)butanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-tetrahydrothiopyran-4-yl-butanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-thianyl)butanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(thian-4-yl)butanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-tetrahydrothiopyran-4-yl-butyric acid Formula: C19H24O5S2 MolecularWeight: 396.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCSCC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C1CCSCC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C19H24O5S2/c1-3-5-12-24-16-6-8-17(9-7-16)26(22,23)19(4-2,18(20)21)15-10-13-25-14-11-15/h6-9,15H,4,10-14H2,1-2H3,(H,20,21)