diethyl (3aR,8aS)-5-phenyl-3,3a,6,8a-tetrahydro-1H-azulene-2,2-dicarboxylate

Systemtic Name: diethyl (3aR,8aS)-5-phenyl-3,3a,6,8a-tetrahydro-1H-azulene-2,2-dicarboxylate Openeye Name: diethyl (3aR,8aS)-5-phenyl-3,3a,6,8a-tetrahydro-1H-azulene-2,2-dicarboxylate CAS Name: (3aR,8aS)-5-phenyl-3,3a,6,8a-tetrahydro-1H-azulene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3aR,8aS)-5-phenyl-3,3a,6,8a-tetrahydro-1H-azulene-2,2-dicarboxylate Traditional Name: (3aR,8aS)-5-phenyl-3,3a,6,8a-tetrahydro-1H-azulene-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=CCC(=CC2C1)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H26O4/c1-3-25-20(23)22(21(24)26-4-2)14-18-12-8-11-17(13-19(18)15-22)16-9-6-5-7-10-16/h5-10,12-13,18-19H,3-4,11,14-15H2,1-2H3/t18-,19-/m1/s1