(3S,8R,8aS)-3,8a-dimethyl-8-phenyl-3,4,7,8-tetrahydroisochromene-1,6-dione

Systemtic Name: (3S,8R,8aS)-3,8a-dimethyl-8-phenyl-3,4,7,8-tetrahydroisochromene-1,6-dione Openeye Name: (3S,8R,8aS)-3,8a-dimethyl-8-phenyl-3,4,7,8-tetrahydroisochromene-1,6-dione CAS Name: (3S,8R,8aS)-3,8a-dimethyl-8-phenyl-3,4,7,8-tetrahydro-2-benzopyran-1,6-dione IUPAC Name: (3S,8R,8aS)-3,8a-dimethyl-8-phenyl-3,4,7,8-tetrahydroisochromene-1,6-dione Traditional Name: (3S,8R,8aS)-3,8a-dimethyl-8-phenyl-3,4,7,8-tetrahydroisochromene-1,6-quinone Formula: C17H18O3 MolecularWeight: 270.32302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=O)CC(C2(C(=O)O1)C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC2=CC(=O)C[C@@H]([C@@]2(C(=O)O1)C)C3=CC=CC=C3

InChI

InChI=1S/C17H18O3/c1-11-8-13-9-14(18)10-15(12-6-4-3-5-7-12)17(13,2)16(19)20-11/h3-7,9,11,15H,8,10H2,1-2H3/t11-,15+,17+/m0/s1