methyl 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-methoxycarbonylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-methoxycarbonylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-methoxycarbonylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate CAS Name: 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-methoxycarbonylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[10,20-bis(3,5-ditert-butylphenyl)-15-(2-methoxycarbonylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Traditional Name: 2-[15-(2-carbomethoxyphenyl)-10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C64H66N4O4 MolecularWeight: 955.23324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7C(=O)OC)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=CC=C9C(=O)OC)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7C(=O)OC)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C9=CC=CC=C9C(=O)OC)N3)C(C)(C)C

InChI

InChI=1S/C64H66N4O4/c1-61(2,3)39-31-37(32-40(35-39)62(4,5)6)55-47-23-27-51(65-47)57(43-19-15-17-21-45(43)59(69)71-13)53-29-25-49(67-53)56(38-33-41(63(7,8)9)36-42(34-38)64(10,11)12)50-26-30-54(68-50)58(52-28-24-48(55)66-52)44-20-16-18-22-46(44)60(70)72-14/h15-36,65,67H,1-14H3