diethyl 5-oxidanyl-4-oxidanylidene-7-phenylsulfanyl-2,3,8,8a-tetrahydronaphthalene-1,1-dicarboxylate

Systemtic Name: diethyl 5-oxidanyl-4-oxidanylidene-7-phenylsulfanyl-2,3,8,8a-tetrahydronaphthalene-1,1-dicarboxylate Openeye Name: diethyl 5-hydroxy-4-oxo-7-phenylsulfanyl-2,3,8,8a-tetrahydronaphthalene-1,1-dicarboxylate CAS Name: 5-hydroxy-4-oxo-7-(phenylthio)-2,3,8,8a-tetrahydronaphthalene-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-hydroxy-4-oxo-7-phenylsulfanyl-2,3,8,8a-tetrahydronaphthalene-1,1-dicarboxylate Traditional Name: 5-hydroxy-4-keto-7-(phenylthio)-2,3,8,8a-tetrahydronaphthalene-1,1-dicarboxylic acid diethyl ester Formula: C22H24O6S MolecularWeight: 416.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(=O)C2=C(C=C(CC21)SC3=CC=CC=C3)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCC(=O)C2=C(C=C(CC21)SC3=CC=CC=C3)O)C(=O)OCC

InChI

InChI=1S/C22H24O6S/c1-3-27-20(25)22(21(26)28-4-2)11-10-17(23)19-16(22)12-15(13-18(19)24)29-14-8-6-5-7-9-14/h5-9,13,16,24H,3-4,10-12H2,1-2H3