13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-carbaldehyde

Systemtic Name: 13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-carbaldehyde Openeye Name: 13,13-dimethyl-5-(p-tolyl)-22,24-dihydro-12H-porphyrin-2-carbaldehyde CAS Name: 13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-carboxaldehyde IUPAC Name: 13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-carbaldehyde Traditional Name: 13,13-dimethyl-5-(p-tolyl)-22,24-dihydro-12H-porphine-2-carbaldehyde Formula: C30H26N4O MolecularWeight: 458.55364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2N6)CC5(C)C)N4)C=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2N6)CC5(C)C)N4)C=O

InChI

InChI=1S/C30H26N4O/c1-18-4-6-19(7-5-18)29-25-11-10-21(32-25)13-24-16-30(2,3)28(33-24)15-23-9-8-22(31-23)14-26-20(17-35)12-27(29)34-26/h4-15,17,31-32H,16H2,1-3H3