diethyl (3aS,6R)-6-methyl-7-phenyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate

Systemtic Name: diethyl (3aS,6R)-6-methyl-7-phenyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate Openeye Name: diethyl (3aS,6R)-6-methyl-7-phenyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate CAS Name: (3aS,6R)-6-methyl-7-phenyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3aS,6R)-6-methyl-7-phenyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate Traditional Name: (3aS,6R)-6-methyl-7-phenyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylic acid diethyl ester Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2C=CC(C(=C2C1)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C[C@H]2C=C[C@H](C(=C2C1)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C22H26O4/c1-4-25-20(23)22(21(24)26-5-2)13-17-12-11-15(3)19(18(17)14-22)16-9-7-6-8-10-16/h6-12,15,17H,4-5,13-14H2,1-3H3/t15-,17-/m1/s1