[(1R,2R)-2-naphthalen-2-ylsulfonylcyclohexyl] 2-oxidanylidene-3-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: [(1R,2R)-2-naphthalen-2-ylsulfonylcyclohexyl] 2-oxidanylidene-3-phenyl-1-benzofuran-3-carboxylate Openeye Name: [(1R,2R)-2-(2-naphthylsulfonyl)cyclohexyl] 2-oxo-3-phenyl-benzofuran-3-carboxylate CAS Name: 2-oxo-3-phenyl-3-benzofurancarboxylic acid [(1R,2R)-2-(2-naphthalenylsulfonyl)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-naphthalen-2-ylsulfonylcyclohexyl] 2-oxo-3-phenyl-1-benzofuran-3-carboxylate Traditional Name: 2-keto-3-phenyl-coumaran-3-carboxylic acid [(1R,2R)-2-(2-naphthylsulfonyl)cyclohexyl] ester Formula: C31H26O6S MolecularWeight: 526.59954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC(=O)C2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CC[C@H]([C@@H](C1)OC(=O)C2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H26O6S/c32-29-31(23-12-2-1-3-13-23,25-14-6-7-15-26(25)36-29)30(33)37-27-16-8-9-17-28(27)38(34,35)24-19-18-21-10-4-5-11-22(21)20-24/h1-7,10-15,18-20,27-28H,8-9,16-17H2/t27-,28-,31?/m1/s1