5-butyl-15-deuterio-2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin

Systemtic Name: 5-butyl-15-deuterio-2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin Openeye Name: 5-butyl-15-deuterio-2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin CAS Name: 5-butyl-15-deuterio-2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin IUPAC Name: 5-butyl-15-deuterio-2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin Traditional Name: 5-butyl-15-deuterio-2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphine Formula: C40H54N4 MolecularWeight: 591.889722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CC)CC)C(=C4CC)CC)C(=C3CC)CC)N2)CC)CC

Isomeric SMILES

[2H]C1=C2C(=C(C(=N2)C=C3C(=C(C(=C(C4=C(C(=C(N4)C=C5C(=C(C1=N5)CC)CC)CC)CC)CCCC)N3)CC)CC)CC)CC

InChI

InChI=1S/C40H54N4/c1-10-19-20-32-39-30(17-8)28(15-6)37(43-39)22-35-26(13-4)24(11-2)33(41-35)21-34-25(12-3)27(14-5)36(42-34)23-38-29(16-7)31(18-9)40(32)44-38/h21-23,43-44H,10-20H2,1-9H3/i21D