methyl (3S,5R,6R)-5-(4-chlorophenyl)seleninyl-3-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)oxy-6-oxidanyl-cyclohexene-1-carboxylate

Systemtic Name: methyl (3S,5R,6R)-5-(4-chlorophenyl)seleninyl-3-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)oxy-6-oxidanyl-cyclohexene-1-carboxylate Openeye Name: methyl (3S,5R,6R)-5-(4-chlorophenyl)seleninyl-6-hydroxy-3-(1-methoxycarbonylvinyloxy)cyclohexene-1-carboxylate CAS Name: (3S,5R,6R)-5-(4-chlorophenyl)seleninyl-6-hydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3S,5R,6R)-5-(4-chlorophenyl)seleninyl-6-hydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate Traditional Name: (3S,5R,6R)-3-(1-carbomethoxyvinyloxy)-5-(4-chlorophenyl)seleninyl-6-hydroxy-cyclohexene-1-carboxylic acid methyl ester Formula: C18H19ClO7Se MolecularWeight: 461.75226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(C1O)[Se](=O)C2=CC=C(C=C2)Cl)OC(=C)C(=O)OC

Isomeric SMILES

COC(=O)C1=C[C@H](C[C@H]([C@@H]1O)[Se](=O)C2=CC=C(C=C2)Cl)OC(=C)C(=O)OC

InChI

InChI=1S/C18H19ClO7Se/c1-10(17(21)24-2)26-12-8-14(18(22)25-3)16(20)15(9-12)27(23)13-6-4-11(19)5-7-13/h4-8,12,15-16,20H,1,9H2,2-3H3/t12-,15-,16-,27?/m1/s1