2-(2-prop-1-ynylcyclohexen-1-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-prop-1-ynylcyclohexen-1-yl)sulfanylethanoic acid Openeye Name: 2-(2-prop-1-ynylcyclohexen-1-yl)sulfanylacetic acid CAS Name: 2-[(2-prop-1-ynyl-1-cyclohexenyl)thio]acetic acid IUPAC Name: 2-(2-prop-1-ynylcyclohexen-1-yl)sulfanylacetic acid Traditional Name: 2-[(2-prop-1-ynylcyclohexen-1-yl)thio]acetic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(CCCC1)SCC(=O)O

Isomeric SMILES

CC#CC1=C(CCCC1)SCC(=O)O

InChI

InChI=1S/C11H14O2S/c1-2-5-9-6-3-4-7-10(9)14-8-11(12)13/h3-4,6-8H2,1H3,(H,12,13)