2-(4-but-2-ynoxyphenyl)sulfanylpropanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfanylpropanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfanylpropanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)thio]propanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfanylpropanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)thio]propionic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(C)C(=O)O

InChI

InChI=1S/C13H14O3S/c1-3-4-9-16-11-5-7-12(8-6-11)17-10(2)13(14)15/h5-8,10H,9H2,1-2H3,(H,14,15)