3-phenylpropyl 2-pent-4-ynylsulfanylethanoate

Systemtic Name: 3-phenylpropyl 2-pent-4-ynylsulfanylethanoate Openeye Name: 3-phenylpropyl 2-pent-4-ynylsulfanylacetate CAS Name: 2-(pent-4-ynylthio)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-pent-4-ynylsulfanylacetate Traditional Name: 2-(pent-4-ynylthio)acetic acid 3-phenylpropyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCSCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

C#CCCCSCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C16H20O2S/c1-2-3-7-13-19-14-16(17)18-12-8-11-15-9-5-4-6-10-15/h1,4-6,9-10H,3,7-8,11-14H2