dimethyl 2-phenyl-3,5,6,6a-tetrahydro-2H-pentalene-1,1-dicarboxylate

Systemtic Name: dimethyl 2-phenyl-3,5,6,6a-tetrahydro-2H-pentalene-1,1-dicarboxylate Openeye Name: dimethyl 2-phenyl-3,5,6,6a-tetrahydro-2H-pentalene-1,1-dicarboxylate CAS Name: 2-phenyl-3,5,6,6a-tetrahydro-2H-pentalene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-phenyl-3,5,6,6a-tetrahydro-2H-pentalene-1,1-dicarboxylate Traditional Name: 2-phenyl-3,5,6,6a-tetrahydro-2H-pentalene-1,1-dicarboxylic acid dimethyl ester Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2CCC=C2CC1C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(C2CCC=C2CC1C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H20O4/c1-21-16(19)18(17(20)22-2)14-10-6-9-13(14)11-15(18)12-7-4-3-5-8-12/h3-5,7-9,14-15H,6,10-11H2,1-2H3