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

Systemtic Name: 12-henicosyl-13-methyl-21,22-dihydroporphyrin chloride hydrochloride Openeye Name: 12-henicosyl-13-methyl-21,22-dihydroporphyrin chloride hydrochloride CAS Name: 12-heneicosyl-13-methyl-21,22-dihydroporphyrin chloride hydrochloride IUPAC Name: 12-henicosyl-13-methyl-21,22-dihydroporphyrin chloride hydrochloride Traditional Name: 12-heneicosyl-13-methyl-21,22-dihydroporphine chloride hydrochloride Formula: C42H59Cl2N4- MolecularWeight: 690.85066

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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.Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4)C.Cl.[Cl-]

InChI

InChI=1S/C42H58N4.2ClH/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;2*1H/p-1