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

Systemtic Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)heptacene-7,16-dione Openeye Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)heptacene-7,16-dione CAS Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)heptacene-7,16-dione IUPAC Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)heptacene-7,16-dione Traditional Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)heptacene-7,16-quinone Formula: C70H64O2 MolecularWeight: 937.25596

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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=C(C=C6)C(C)(C)C)C(=O)C7=C(C8=CC9=CC=CC=C9C=C8C(=C7C3=O)C1=CC=C(C=C1)C(C)(C)C)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=C(C=C6)C(C)(C)C)C(=O)C7=C(C8=CC9=CC=CC=C9C=C8C(=C7C3=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C70H64O2/c1-67(2,3)49-29-21-41(22-30-49)57-53-37-45-17-13-14-18-46(45)38-54(53)58(42-23-31-50(32-24-42)68(4,5)6)62-61(57)65(71)63-59(43-25-33-51(34-26-43)69(7,8)9)55-39-47-19-15-16-20-48(47)40-56(55)60(64(63)66(62)72)44-27-35-52(36-28-44)70(10,11)12/h13-40H,1-12H3