dodec-9-ynyl 2-phenylsulfanylethanoate

Systemtic Name: dodec-9-ynyl 2-phenylsulfanylethanoate Openeye Name: dodec-9-ynyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid dodec-9-ynyl ester Formula: C20H28O2S MolecularWeight: 332.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C20H28O2S/c1-2-3-4-5-6-7-8-9-10-14-17-22-20(21)18-23-19-15-12-11-13-16-19/h11-13,15-16H,2,5-10,14,17-18H2,1H3