phenylsulfanyl (E)-2-(phenylmethyl)pent-3-enoate

Systemtic Name: phenylsulfanyl (E)-2-(phenylmethyl)pent-3-enoate Openeye Name: phenylsulfanyl (E)-2-benzylpent-3-enoate CAS Name: (E)-2-(phenylmethyl)-3-pentenoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl (E)-2-benzylpent-3-enoate Traditional Name: (E)-2-benzylpent-3-enoic acid (phenylthio) ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CC1=CC=CC=C1)C(=O)OSC2=CC=CC=C2

Isomeric SMILES

C/C=C/C(CC1=CC=CC=C1)C(=O)OSC2=CC=CC=C2

InChI

InChI=1S/C18H18O2S/c1-2-9-16(14-15-10-5-3-6-11-15)18(19)20-21-17-12-7-4-8-13-17/h2-13,16H,14H2,1H3/b9-2+