12-bromanyl-3,3-dimethyl-15-pentyl-20-phenyl-22,23-dihydro-2H-porphyrin

Systemtic Name: 12-bromanyl-3,3-dimethyl-15-pentyl-20-phenyl-22,23-dihydro-2H-porphyrin Openeye Name: 12-bromo-3,3-dimethyl-15-pentyl-20-phenyl-22,23-dihydro-2H-porphyrin CAS Name: 12-bromo-3,3-dimethyl-15-pentyl-20-phenyl-22,23-dihydro-2H-porphyrin IUPAC Name: 12-bromo-3,3-dimethyl-15-pentyl-20-phenyl-22,23-dihydro-2H-porphyrin Traditional Name: 15-amyl-12-bromo-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphine Formula: C33H33BrN4 MolecularWeight: 565.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=N2)C(=C3CC(C(=N3)C=C4C=CC(=CC5=C(C=C1N5)Br)N4)(C)C)C6=CC=CC=C6

Isomeric SMILES

CCCCCC1=C2C=CC(=N2)C(=C3CC(C(=N3)C=C4C=CC(=CC5=C(C=C1N5)Br)N4)(C)C)C6=CC=CC=C6

InChI

InChI=1S/C33H33BrN4/c1-4-5-7-12-24-26-15-16-27(36-26)32(21-10-8-6-9-11-21)30-20-33(2,3)31(38-30)18-23-14-13-22(35-23)17-29-25(34)19-28(24)37-29/h6,8-11,13-19,35,37H,4-5,7,12,20H2,1-3H3