3-phenylpropyl (E)-7-pent-4-ynylsulfanylhept-2-enoate

Systemtic Name: 3-phenylpropyl (E)-7-pent-4-ynylsulfanylhept-2-enoate Openeye Name: 3-phenylpropyl (E)-7-pent-4-ynylsulfanylhept-2-enoate CAS Name: (E)-7-(pent-4-ynylthio)-2-heptenoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (E)-7-pent-4-ynylsulfanylhept-2-enoate Traditional Name: (E)-7-(pent-4-ynylthio)hept-2-enoic acid 3-phenylpropyl ester Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CCCCSCCCC/C=C/C(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C21H28O2S/c1-2-3-10-18-24-19-11-5-4-9-16-21(22)23-17-12-15-20-13-7-6-8-14-20/h1,6-9,13-14,16H,3-5,10-12,15,17-19H2/b16-9+