10,20-bis(4-tert-butyl-2,6-dinitro-phenyl)-5,15-bis(4-tert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(4-tert-butyl-2,6-dinitro-phenyl)-5,15-bis(4-tert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(4-tert-butyl-2,6-dinitro-phenyl)-5,15-bis(4-tert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(4-tert-butyl-2,6-dinitrophenyl)-5,15-bis(4-tert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(4-tert-butyl-2,6-dinitrophenyl)-5,15-bis(4-tert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(4-tert-butyl-2,6-dinitro-phenyl)-5,15-bis(4-tert-butylphenyl)-21,22-dihydroporphine Formula: C60H58N8O8 MolecularWeight: 1019.15132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=C(C=C(C=C7[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C=C5)C8=CC=C(C=C8)C(C)(C)C)C=C4)C9=C(C=C(C=C9[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=C(C=C(C=C7[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C=C5)C8=CC=C(C=C8)C(C)(C)C)C=C4)C9=C(C=C(C=C9[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])N3

InChI

InChI=1S/C60H58N8O8/c1-57(2,3)35-17-13-33(14-18-35)51-39-21-25-43(61-39)53(55-47(65(69)70)29-37(59(7,8)9)30-48(55)66(71)72)45-27-23-41(63-45)52(34-15-19-36(20-16-34)58(4,5)6)42-24-28-46(64-42)54(44-26-22-40(51)62-44)56-49(67(73)74)31-38(60(10,11)12)32-50(56)68(75)76/h13-32,61-62H,1-12H3