diethyl 2-[3,3-bis(phenylsulfanyl)propyl]-2-(6-oxidanylidenecyclohexen-1-yl)propanedioate

Systemtic Name: diethyl 2-[3,3-bis(phenylsulfanyl)propyl]-2-(6-oxidanylidenecyclohexen-1-yl)propanedioate Openeye Name: diethyl 2-[3,3-bis(phenylsulfanyl)propyl]-2-(6-oxocyclohexen-1-yl)propanedioate CAS Name: 2-[3,3-bis(phenylthio)propyl]-2-(6-oxo-1-cyclohexenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3,3-bis(phenylsulfanyl)propyl]-2-(6-oxocyclohexen-1-yl)propanedioate Traditional Name: 2-[3,3-bis(phenylthio)propyl]-2-(6-ketocyclohexen-1-yl)malonic acid diethyl ester Formula: C28H32O5S2 MolecularWeight: 512.68068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(SC1=CC=CC=C1)SC2=CC=CC=C2)(C3=CCCCC3=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC(SC1=CC=CC=C1)SC2=CC=CC=C2)(C3=CCCCC3=O)C(=O)OCC

InChI

InChI=1S/C28H32O5S2/c1-3-32-26(30)28(27(31)33-4-2,23-17-11-12-18-24(23)29)20-19-25(34-21-13-7-5-8-14-21)35-22-15-9-6-10-16-22/h5-10,13-17,25H,3-4,11-12,18-20H2,1-2H3