dimethyl (2R,3S,4R)-5-oxidanylidene-2,3-diphenyl-3,4-dihydro-1-benzoxepine-2,4-dicarboxylate

Systemtic Name: dimethyl (2R,3S,4R)-5-oxidanylidene-2,3-diphenyl-3,4-dihydro-1-benzoxepine-2,4-dicarboxylate Openeye Name: dimethyl (2R,3S,4R)-5-oxo-2,3-diphenyl-3,4-dihydro-1-benzoxepine-2,4-dicarboxylate CAS Name: (2R,3S,4R)-5-oxo-2,3-diphenyl-3,4-dihydro-1-benzoxepin-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3S,4R)-5-oxo-2,3-diphenyl-3,4-dihydro-1-benzoxepine-2,4-dicarboxylate Traditional Name: (2R,3S,4R)-5-keto-2,3-diphenyl-3,4-dihydro-1-benzoxepin-2,4-dicarboxylic acid dimethyl ester Formula: C26H22O6 MolecularWeight: 430.44928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(OC2=CC=CC=C2C1=O)(C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@@](OC2=CC=CC=C2C1=O)(C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22O6/c1-30-24(28)21-22(17-11-5-3-6-12-17)26(25(29)31-2,18-13-7-4-8-14-18)32-20-16-10-9-15-19(20)23(21)27/h3-16,21-22H,1-2H3/t21-,22-,26+/m1/s1