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

Systemtic Name: 2-(4-oct-2-ynoxyphenyl)sulfanylethanoic acid Openeye Name: 2-(4-oct-2-ynoxyphenyl)sulfanylacetic acid CAS Name: 2-[(4-oct-2-ynoxyphenyl)thio]acetic acid IUPAC Name: 2-(4-oct-2-ynoxyphenyl)sulfanylacetic acid Traditional Name: 2-[(4-oct-2-ynoxyphenyl)thio]acetic acid Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3S/c1-2-3-4-5-6-7-12-19-14-8-10-15(11-9-14)20-13-16(17)18/h8-11H,2-5,12-13H2,1H3,(H,17,18)