dimethyl (3aS,4R)-5-oxidanylidene-4-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: dimethyl (3aS,4R)-5-oxidanylidene-4-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: dimethyl (3aS,4R)-5-oxo-4-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: (3aS,4R)-5-oxo-4-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,4R)-5-oxo-4-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: (3aS,4R)-5-keto-4-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2C(C(=O)C=C2C1)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@H]2[C@@H](C(=O)C=C2C1)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18O5/c1-22-16(20)18(17(21)23-2)9-12-8-14(19)15(13(12)10-18)11-6-4-3-5-7-11/h3-8,13,15H,9-10H2,1-2H3/t13-,15+/m1/s1