12-henicosyl-13-methyl-21,22-dihydroporphyrin

Systemtic Name: 12-henicosyl-13-methyl-21,22-dihydroporphyrin Openeye Name: 12-henicosyl-13-methyl-21,22-dihydroporphyrin CAS Name: 12-heneicosyl-13-methyl-21,22-dihydroporphyrin IUPAC Name: 12-henicosyl-13-methyl-21,22-dihydroporphyrin Traditional Name: 12-heneicosyl-13-methyl-21,22-dihydroporphine Formula: C42H58N4 MolecularWeight: 618.93672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4)C

InChI

InChI=1S/C42H58N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40-33(2)41-31-38-27-25-36(44-38)29-34-23-24-35(43-34)30-37-26-28-39(45-37)32-42(40)46-41/h23-32,43,45H,3-22H2,1-2H3