2,3,7,8,12,13-hexaethyl-22-methanidyl-17,18-dimethyl-24-methylidene-21,23-dihydroporphyrin-24-ium

Systemtic Name: 2,3,7,8,12,13-hexaethyl-22-methanidyl-17,18-dimethyl-24-methylidene-21,23-dihydroporphyrin-24-ium Openeye Name: 2,3,7,8,12,13-hexaethyl-22-methanidyl-17,18-dimethyl-24-methylene-21,23-dihydroporphyrin-24-ium CAS Name: 2,3,7,8,12,13-hexaethyl-22-methanidyl-17,18-dimethyl-24-methylene-21,23-dihydroporphyrin-24-ium IUPAC Name: 2,3,7,8,12,13-hexaethyl-22-methanidyl-17,18-dimethyl-24-methylidene-21,23-dihydroporphyrin-24-ium Traditional Name: 2,3,7,8,12,13-hexaethyl-22-methanidyl-17,18-dimethyl-24-methylene-21,23-dihydroporphin-24-ium Formula: C36H46N4 MolecularWeight: 534.77724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C1N2[CH2-])CC)CC)[N+]4=C)C)C)CC)CC)CC

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C1N2[CH2-])CC)CC)[N+]4=C)C)C)CC)CC)CC

InChI

InChI=1S/C36H46N4/c1-11-23-25(13-3)31-19-35-27(15-5)28(16-6)36(40(35)10)20-32-26(14-4)24(12-2)30(38-32)18-34-22(8)21(7)33(39(34)9)17-29(23)37-31/h17-20,37-38H,9-16H2,1-8H3