diethyl 2-(7-phenylsulfanylheptyl)propanedioate

Systemtic Name: diethyl 2-(7-phenylsulfanylheptyl)propanedioate Openeye Name: diethyl 2-(7-phenylsulfanylheptyl)propanedioate CAS Name: 2-[7-(phenylthio)heptyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(7-phenylsulfanylheptyl)propanedioate Traditional Name: 2-[7-(phenylthio)heptyl]malonic acid diethyl ester Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCSC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCCCCSC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C20H30O4S/c1-3-23-19(21)18(20(22)24-4-2)15-11-6-5-7-12-16-25-17-13-9-8-10-14-17/h8-10,13-14,18H,3-7,11-12,15-16H2,1-2H3