diethyl 2-[(E)-2-phenylselanyl-3-phenylsulfanyl-prop-2-enyl]-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[(E)-2-phenylselanyl-3-phenylsulfanyl-prop-2-enyl]-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[(E)-2-phenylselanyl-3-phenylsulfanyl-allyl]propanedioate CAS Name: 2-[(E)-2-(phenylseleno)-3-(phenylthio)prop-2-enyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-2-phenylselanyl-3-phenylsulfanylprop-2-enyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[(E)-2-(phenylseleno)-3-(phenylthio)allyl]malonic acid diethyl ester Formula: C25H28O4SSe MolecularWeight: 503.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)(CC(=CSC1=CC=CC=C1)[Se]C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC=C)(C/C(=C\SC1=CC=CC=C1)/[Se]C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C25H28O4SSe/c1-4-17-25(23(26)28-5-2,24(27)29-6-3)18-22(31-21-15-11-8-12-16-21)19-30-20-13-9-7-10-14-20/h4,7-16,19H,1,5-6,17-18H2,2-3H3/b22-19+