ethyl (E)-4-phenylsulfanyldodec-2-enoate

Systemtic Name: ethyl (E)-4-phenylsulfanyldodec-2-enoate Openeye Name: ethyl (E)-4-phenylsulfanyldodec-2-enoate CAS Name: (E)-4-(phenylthio)-2-dodecenoic acid ethyl ester IUPAC Name: ethyl (E)-4-phenylsulfanyldodec-2-enoate Traditional Name: (E)-4-(phenylthio)dodec-2-enoic acid ethyl ester Formula: C20H30O2S MolecularWeight: 334.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC(=O)OCC)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCC(/C=C/C(=O)OCC)SC1=CC=CC=C1

InChI

InChI=1S/C20H30O2S/c1-3-5-6-7-8-10-15-19(16-17-20(21)22-4-2)23-18-13-11-9-12-14-18/h9,11-14,16-17,19H,3-8,10,15H2,1-2H3/b17-16+