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

Systemtic Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)-7,16-dihydroheptacene Openeye Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)-7,16-dihydroheptacene CAS Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)-7,16-dihydroheptacene IUPAC Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)-7,16-dihydroheptacene Traditional Name: 6,8,15,17-tetrakis(4-tert-butylphenyl)-7,16-dihydroheptacene Formula: C70H68 MolecularWeight: 909.28892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3CC4=C(C5=CC6=CC=CC=C6C=C5C(=C4CC3=C(C7=CC8=CC=CC=C8C=C72)C9=CC=C(C=C9)C(C)(C)C)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=C3CC4=C(C5=CC6=CC=CC=C6C=C5C(=C4CC3=C(C7=CC8=CC=CC=C8C=C72)C9=CC=C(C=C9)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C70H68/c1-67(2,3)51-29-21-43(22-30-51)63-55-37-47-17-13-14-18-48(47)38-56(55)64(44-23-31-52(32-24-44)68(4,5)6)60-42-62-61(41-59(60)63)65(45-25-33-53(34-26-45)69(7,8)9)57-39-49-19-15-16-20-50(49)40-58(57)66(62)46-27-35-54(36-28-46)70(10,11)12/h13-40H,41-42H2,1-12H3