10,20-bis(3,5-ditert-butylphenyl)-2,3,22,24-tetrahydroporphyrin-5,15-dicarbaldehyde

Systemtic Name: 10,20-bis(3,5-ditert-butylphenyl)-2,3,22,24-tetrahydroporphyrin-5,15-dicarbaldehyde Openeye Name: 10,20-bis(3,5-ditert-butylphenyl)-2,3,22,24-tetrahydroporphyrin-5,15-dicarbaldehyde CAS Name: 10,20-bis(3,5-ditert-butylphenyl)-2,3,22,24-tetrahydroporphyrin-5,15-dicarboxaldehyde IUPAC Name: 10,20-bis(3,5-ditert-butylphenyl)-2,3,22,24-tetrahydroporphyrin-5,15-dicarbaldehyde Traditional Name: 10,20-bis(3,5-ditert-butylphenyl)-2,3,22,24-tetrahydroporphine-5,15-dicarbaldehyde Formula: C50H56N4O2 MolecularWeight: 745.00524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3CCC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2N6)C=O)C=C5)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N4)C=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3CCC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2N6)C=O)C=C5)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N4)C=O)C(C)(C)C

InChI

InChI=1S/C50H56N4O2/c1-47(2,3)31-21-29(22-32(25-31)48(4,5)6)45-41-17-13-37(51-41)35(27-55)39-15-19-43(53-39)46(30-23-33(49(7,8)9)26-34(24-30)50(10,11)12)44-20-16-40(54-44)36(28-56)38-14-18-42(45)52-38/h13-15,17-19,21-28,52-53H,16,20H2,1-12H3