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methyl (E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoate

methyl (E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoate

Systemtic Name:methyl (E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoate
Openeye Name:methyl (E)-4,4-dimethyl-3-phenylsulfanyl-pent-2-enoate
CAS Name:(E)-4,4-dimethyl-3-(phenylthio)-2-pentenoic acid methyl ester
IUPAC Name:methyl (E)-4,4-dimethyl-3-phenylsulfanylpent-2-enoate
Traditional Name:(E)-4,4-dimethyl-3-(phenylthio)pent-2-enoic acid methyl ester
Formula: C14H18O2S
MolecularWeight: 250.35652
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)OC)SC1=CC=CC=C1


Isomeric SMILES

CC(C)(C)/C(=C\C(=O)OC)/SC1=CC=CC=C1


InChI

InChI=1S/C14H18O2S/c1-14(2,3)12(10-13(15)16-4)17-11-8-6-5-7-9-11/h5-10H,1-4H3/b12-10+


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