2-(4-pent-2-ynoxyphenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-pent-2-ynoxyphenyl)sulfanylethanoic acid Openeye Name: 2-(4-pent-2-ynoxyphenyl)sulfanylacetic acid CAS Name: 2-[(4-pent-2-ynoxyphenyl)thio]acetic acid IUPAC Name: 2-(4-pent-2-ynoxyphenyl)sulfanylacetic acid Traditional Name: 2-[(4-pent-2-ynoxyphenyl)thio]acetic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)SCC(=O)O

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)SCC(=O)O

InChI

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