2-[(1Z)-2-prop-1-ynylcycloocten-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[(1Z)-2-prop-1-ynylcycloocten-1-yl]sulfanylethanoic acid Openeye Name: 2-[(1Z)-2-prop-1-ynylcycloocten-1-yl]sulfanylacetic acid CAS Name: 2-[[(1Z)-2-prop-1-ynyl-1-cyclooctenyl]thio]acetic acid IUPAC Name: 2-[(1Z)-2-prop-1-ynylcycloocten-1-yl]sulfanylacetic acid Traditional Name: 2-[[(1Z)-2-prop-1-ynylcycloocten-1-yl]thio]acetic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(CCCCCC1)SCC(=O)O

Isomeric SMILES

CC#C/C/1=C(/CCCCCC1)\SCC(=O)O

InChI

InChI=1S/C13H18O2S/c1-2-7-11-8-5-3-4-6-9-12(11)16-10-13(14)15/h3-6,8-10H2,1H3,(H,14,15)/b12-11+