dimethyl (1S,4S)-4-oxidanyl-3-oxidanylidene-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate

Systemtic Name: dimethyl (1S,4S)-4-oxidanyl-3-oxidanylidene-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Openeye Name: dimethyl (1S,4S)-4-hydroxy-3-oxo-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate CAS Name: (1S,4S)-4-hydroxy-3-oxo-8-(phenylthio)-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4S)-4-hydroxy-3-oxo-8-phenylsulfanyl-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylate Traditional Name: (1S,4S)-4-hydroxy-3-keto-8-(phenylthio)-2-oxabicyclo[2.2.2]octa-5,7-diene-5,6-dicarboxylic acid dimethyl ester Formula: C17H14O7S MolecularWeight: 362.35386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2(C(=CC1OC2=O)SC3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C([C@]2(C(=C[C@@H]1OC2=O)SC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C17H14O7S/c1-22-14(18)12-10-8-11(25-9-6-4-3-5-7-9)17(21,16(20)24-10)13(12)15(19)23-2/h3-8,10,21H,1-2H3/t10-,17-/m0/s1