diethyl 2-phenylsulfanyloctanedioate

Systemtic Name: diethyl 2-phenylsulfanyloctanedioate Openeye Name: diethyl 2-phenylsulfanyloctanedioate CAS Name: 2-(phenylthio)octanedioic acid diethyl ester IUPAC Name: diethyl 2-phenylsulfanyloctanedioate Traditional Name: 2-(phenylthio)suberic acid diethyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(C(=O)OCC)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCCCCC(C(=O)OCC)SC1=CC=CC=C1

InChI

InChI=1S/C18H26O4S/c1-3-21-17(19)14-10-6-9-13-16(18(20)22-4-2)23-15-11-7-5-8-12-15/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3