15-dibutoxyphosphoryl-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-dibutoxyphosphoryl-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-dibutoxyphosphoryl-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin CAS Name: 15-dibutoxyphosphoryl-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-dibutoxyphosphoryl-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-dibutoxyphosphoryl-5,10,20-tris(3,5-ditert-butylphenyl)-21,22-dihydroporphine Formula: C70H91N4O3P MolecularWeight: 1067.470301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)OCCCC

Isomeric SMILES

CCCCOP(=O)(C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N3)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)OCCCC

InChI

InChI=1S/C70H91N4O3P/c1-21-23-33-76-78(75,77-34-24-22-2)64-59-31-29-57(73-59)62(45-37-49(67(9,10)11)42-50(38-45)68(12,13)14)55-27-25-53(71-55)61(44-35-47(65(3,4)5)41-48(36-44)66(6,7)8)54-26-28-56(72-54)63(58-30-32-60(64)74-58)46-39-51(69(15,16)17)43-52(40-46)70(18,19)20/h25-32,35-43,71-72H,21-24,33-34H2,1-20H3