ethyl 4-(1-ethoxy-1-oxidanylidene-2-phenoxy-octan-4-yl)sulfanyl-2-phenoxy-octanoate

Systemtic Name: ethyl 4-(1-ethoxy-1-oxidanylidene-2-phenoxy-octan-4-yl)sulfanyl-2-phenoxy-octanoate Openeye Name: ethyl 4-[1-(3-ethoxy-3-oxo-2-phenoxy-propyl)pentylsulfanyl]-2-phenoxy-octanoate CAS Name: 4-[(1-ethoxy-1-oxo-2-phenoxyoctan-4-yl)thio]-2-phenoxyoctanoic acid ethyl ester IUPAC Name: ethyl 4-(1-ethoxy-1-oxo-2-phenoxyoctan-4-yl)sulfanyl-2-phenoxyoctanoate Traditional Name: 4-[1-(3-ethoxy-3-keto-2-phenoxy-propyl)pentylthio]-2-phenoxy-caprylic acid ethyl ester Formula: C32H46O6S MolecularWeight: 558.76904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(=O)OCC)OC1=CC=CC=C1)SC(CCCC)CC(C(=O)OCC)OC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC(C(=O)OCC)OC1=CC=CC=C1)SC(CCCC)CC(C(=O)OCC)OC2=CC=CC=C2

InChI

InChI=1S/C32H46O6S/c1-5-9-21-27(23-29(31(33)35-7-3)37-25-17-13-11-14-18-25)39-28(22-10-6-2)24-30(32(34)36-8-4)38-26-19-15-12-16-20-26/h11-20,27-30H,5-10,21-24H2,1-4H3