ethyl (E)-7-chloranyl-3,7,11-trimethyl-6-phenylsulfanyl-dodec-2-enoate

Systemtic Name: ethyl (E)-7-chloranyl-3,7,11-trimethyl-6-phenylsulfanyl-dodec-2-enoate Openeye Name: ethyl (E)-7-chloro-3,7,11-trimethyl-6-phenylsulfanyl-dodec-2-enoate CAS Name: (E)-7-chloro-3,7,11-trimethyl-6-(phenylthio)-2-dodecenoic acid ethyl ester IUPAC Name: ethyl (E)-7-chloro-3,7,11-trimethyl-6-phenylsulfanyldodec-2-enoate Traditional Name: (E)-7-chloro-3,7,11-trimethyl-6-(phenylthio)dodec-2-enoic acid ethyl ester Formula: C23H35ClO2S MolecularWeight: 411.0408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)CCC(C(C)(CCCC(C)C)Cl)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C(\C)/CCC(C(C)(CCCC(C)C)Cl)SC1=CC=CC=C1

InChI

InChI=1S/C23H35ClO2S/c1-6-26-22(25)17-19(4)14-15-21(27-20-12-8-7-9-13-20)23(5,24)16-10-11-18(2)3/h7-9,12-13,17-18,21H,6,10-11,14-16H2,1-5H3/b19-17+