(1S,5S)-5,7-bis[bis(4-tert-butylphenyl)methyl]-1-methoxy-3-(4-methylphenyl)bicyclo[3.2.1]octa-2,6-diene-4,8-dione

Systemtic Name: (1S,5S)-5,7-bis[bis(4-tert-butylphenyl)methyl]-1-methoxy-3-(4-methylphenyl)bicyclo[3.2.1]octa-2,6-diene-4,8-dione Openeye Name: (1S,5S)-5,7-bis[bis(4-tert-butylphenyl)methyl]-1-methoxy-3-(p-tolyl)bicyclo[3.2.1]octa-2,6-diene-4,8-dione CAS Name: (1S,5S)-5,7-bis[bis(4-tert-butylphenyl)methyl]-1-methoxy-3-(4-methylphenyl)bicyclo[3.2.1]octa-2,6-diene-4,8-dione IUPAC Name: (1S,5S)-5,7-bis[bis(4-tert-butylphenyl)methyl]-1-methoxy-3-(4-methylphenyl)bicyclo[3.2.1]octa-2,6-diene-4,8-dione Traditional Name: (1S,5S)-5,7-bis[bis(4-tert-butylphenyl)methyl]-1-methoxy-3-(p-tolyl)bicyclo[3.2.1]octa-2,6-diene-4,8-quinone Formula: C58H66O3 MolecularWeight: 811.14284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3(C(=CC(C2=O)(C3=O)C(C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C)C(C6=CC=C(C=C6)C(C)(C)C)C7=CC=C(C=C7)C(C)(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@@]3(C(=C[C@](C2=O)(C3=O)C(C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)C(C)(C)C)C(C6=CC=C(C=C6)C(C)(C)C)C7=CC=C(C=C7)C(C)(C)C)OC

InChI

InChI=1S/C58H66O3/c1-37-15-17-38(18-16-37)47-35-58(61-14)48(49(39-19-27-43(28-20-39)53(2,3)4)40-21-29-44(30-22-40)54(5,6)7)36-57(51(47)59,52(58)60)50(41-23-31-45(32-24-41)55(8,9)10)42-25-33-46(34-26-42)56(11,12)13/h15-36,49-50H,1-14H3/t57-,58-/m0/s1