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

Systemtic Name: 2-(2-prop-1-ynylcyclohepten-1-yl)sulfanylethanoic acid Openeye Name: 2-(2-prop-1-ynylcyclohepten-1-yl)sulfanylacetic acid CAS Name: 2-[(2-prop-1-ynyl-1-cycloheptenyl)thio]acetic acid IUPAC Name: 2-(2-prop-1-ynylcyclohepten-1-yl)sulfanylacetic acid Traditional Name: 2-[(2-prop-1-ynylcyclohepten-1-yl)thio]acetic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(CCCCC1)SCC(=O)O

Isomeric SMILES

CC#CC1=C(CCCCC1)SCC(=O)O

InChI

InChI=1S/C12H16O2S/c1-2-6-10-7-4-3-5-8-11(10)15-9-12(13)14/h3-5,7-9H2,1H3,(H,13,14)