2-dodeca-2,5,8-triynylsulfanylethanoic acid

Systemtic Name: 2-dodeca-2,5,8-triynylsulfanylethanoic acid Openeye Name: 2-dodeca-2,5,8-triynylsulfanylacetic acid CAS Name: 2-(dodeca-2,5,8-triynylthio)acetic acid IUPAC Name: 2-dodeca-2,5,8-triynylsulfanylacetic acid Traditional Name: 2-(dodeca-2,5,8-triynylthio)acetic acid Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC#CCC#CCSCC(=O)O

Isomeric SMILES

CCCC#CCC#CCC#CCSCC(=O)O

InChI

InChI=1S/C14H16O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-3,6,9,12-13H2,1H3,(H,15,16)