10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-5,15-dione

Systemtic Name: 10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-5,15-dione Openeye Name: 10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-5,15-dione CAS Name: 10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-5,15-dione IUPAC Name: 10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-5,15-dione Traditional Name: 10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphine-5,15-quinone Formula: C48H52N4O2 MolecularWeight: 716.95208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=N3)C(=O)C4=NC(=C(C5=CC=C(N5)C(=O)C6=CC=C2N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=N3)C(=O)C4=NC(=C(C5=CC=C(N5)C(=O)C6=CC=C2N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C4)C(C)(C)C

InChI

InChI=1S/C48H52N4O2/c1-45(2,3)29-21-27(22-30(25-29)46(4,5)6)41-33-13-17-37(49-33)43(53)39-19-15-35(51-39)42(28-23-31(47(7,8)9)26-32(24-28)48(10,11)12)36-16-20-40(52-36)44(54)38-18-14-34(41)50-38/h13-26,49,51H,1-12H3