dimethyl (4aS,6S,8aR)-1-oxidanylidene-7,8-diphenyl-3-prop-2-enyl-4,4a,5,6-tetrahydro-3H-isochromene-6,8a-dicarboxylate

Systemtic Name: dimethyl (4aS,6S,8aR)-1-oxidanylidene-7,8-diphenyl-3-prop-2-enyl-4,4a,5,6-tetrahydro-3H-isochromene-6,8a-dicarboxylate Openeye Name: dimethyl (4aS,6S,8aR)-3-allyl-1-oxo-7,8-diphenyl-4,4a,5,6-tetrahydro-3H-isochromene-6,8a-dicarboxylate CAS Name: (4aS,6S,8aR)-1-oxo-7,8-diphenyl-3-prop-2-enyl-4,4a,5,6-tetrahydro-3H-2-benzopyran-6,8a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4aS,6S,8aR)-1-oxo-7,8-diphenyl-3-prop-2-enyl-4,4a,5,6-tetrahydro-3H-isochromene-6,8a-dicarboxylate Traditional Name: (4aS,6S,8aR)-3-allyl-1-keto-7,8-diphenyl-4,4a,5,6-tetrahydro-3H-isochromene-6,8a-dicarboxylic acid dimethyl ester Formula: C28H28O6 MolecularWeight: 460.51832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2CC(OC(=O)C2(C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)CC=C

Isomeric SMILES

COC(=O)[C@H]1C[C@H]2CC(OC(=O)[C@]2(C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)CC=C

InChI

InChI=1S/C28H28O6/c1-4-11-21-16-20-17-22(25(29)32-2)23(18-12-7-5-8-13-18)24(19-14-9-6-10-15-19)28(20,26(30)33-3)27(31)34-21/h4-10,12-15,20-22H,1,11,16-17H2,2-3H3/t20-,21?,22+,28-/m1/s1