5,6-bis(1-adamantyl)-4,7-dimethyl-2-benzofuran-1,3-dione

Systemtic Name: 5,6-bis(1-adamantyl)-4,7-dimethyl-2-benzofuran-1,3-dione Openeye Name: 5,6-bis(1-adamantyl)-4,7-dimethyl-isobenzofuran-1,3-dione CAS Name: 5,6-bis(1-adamantyl)-4,7-dimethylisobenzofuran-1,3-dione IUPAC Name: 5,6-bis(1-adamantyl)-4,7-dimethyl-2-benzofuran-1,3-dione Traditional Name: 5,6-bis(1-adamantyl)-4,7-dimethyl-phthalan-1,3-quinone Formula: C30H36O3 MolecularWeight: 444.60504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C(=O)OC2=O)C)C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CC1=C(C(=C(C2=C1C(=O)OC2=O)C)C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C30H36O3/c1-15-23-24(28(32)33-27(23)31)16(2)26(30-12-20-6-21(13-30)8-22(7-20)14-30)25(15)29-9-17-3-18(10-29)5-19(4-17)11-29/h17-22H,3-14H2,1-2H3