2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-chlorophenyl)butanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-chlorophenyl)butanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-chlorophenyl)butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-(4-chlorophenyl)butanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanyl-2-(4-chlorophenyl)butanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]-2-(4-chlorophenyl)butyric acid Formula: C20H19ClO3S MolecularWeight: 374.88106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Cl)(C(=O)O)SC2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C1=CC=C(C=C1)Cl)(C(=O)O)SC2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H19ClO3S/c1-3-5-14-24-17-10-12-18(13-11-17)25-20(4-2,19(22)23)15-6-8-16(21)9-7-15/h6-13H,4,14H2,1-2H3,(H,22,23)