methyl 8-ethanoylsulfanyl-9-(4-pentylphenoxy)non-5-ynoate

Systemtic Name: methyl 8-ethanoylsulfanyl-9-(4-pentylphenoxy)non-5-ynoate Openeye Name: methyl 8-acetylsulfanyl-9-(4-pentylphenoxy)non-5-ynoate CAS Name: 8-(acetylthio)-9-(4-pentylphenoxy)-5-nonynoic acid methyl ester IUPAC Name: methyl 8-acetylsulfanyl-9-(4-pentylphenoxy)non-5-ynoate Traditional Name: 8-(acetylthio)-9-(4-amylphenoxy)non-5-ynoic acid methyl ester Formula: C23H32O4S MolecularWeight: 404.56278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCC(CC#CCCCC(=O)OC)SC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC(CC#CCCCC(=O)OC)SC(=O)C

InChI

InChI=1S/C23H32O4S/c1-4-5-8-11-20-14-16-21(17-15-20)27-18-22(28-19(2)24)12-9-6-7-10-13-23(25)26-3/h14-17,22H,4-5,7-8,10-13,18H2,1-3H3