6,15-bis(4-tert-butylphenyl)-8,17-diphenyl-heptacene-7,16-dione

Systemtic Name: 6,15-bis(4-tert-butylphenyl)-8,17-diphenyl-heptacene-7,16-dione Openeye Name: 6,15-bis(4-tert-butylphenyl)-8,17-diphenyl-heptacene-7,16-dione CAS Name: 6,15-bis(4-tert-butylphenyl)-8,17-diphenylheptacene-7,16-dione IUPAC Name: 6,15-bis(4-tert-butylphenyl)-8,17-diphenylheptacene-7,16-dione Traditional Name: 6,15-bis(4-tert-butylphenyl)-8,17-diphenyl-heptacene-7,16-quinone Formula: C62H48O2 MolecularWeight: 825.04332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(C4=CC5=CC=CC=C5C=C42)C6=CC=CC=C6)C(=O)C7=C(C8=CC9=CC=CC=C9C=C8C(=C7C3=O)C1=CC=CC=C1)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(C4=CC5=CC=CC=C5C=C42)C6=CC=CC=C6)C(=O)C7=C(C8=CC9=CC=CC=C9C=C8C(=C7C3=O)C1=CC=CC=C1)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C62H48O2/c1-61(2,3)45-29-25-39(26-30-45)53-49-35-43-23-15-13-21-41(43)33-47(49)51(37-17-9-7-10-18-37)55-57(53)59(63)56-52(38-19-11-8-12-20-38)48-34-42-22-14-16-24-44(42)36-50(48)54(58(56)60(55)64)40-27-31-46(32-28-40)62(4,5)6/h7-36H,1-6H3