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

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

Systemtic Name:20-bromanyl-3,3-dimethyl-15-pentyl-22,23-dihydro-2H-porphyrin
Openeye Name:20-bromo-3,3-dimethyl-15-pentyl-22,23-dihydro-2H-porphyrin
CAS Name:20-bromo-3,3-dimethyl-15-pentyl-22,23-dihydro-2H-porphyrin
IUPAC Name:20-bromo-3,3-dimethyl-15-pentyl-22,23-dihydro-2H-porphyrin
Traditional Name:15-amyl-20-bromo-3,3-dimethyl-22,23-dihydro-2H-porphine
Formula: C27H29BrN4
MolecularWeight: 489.44996
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H29BrN4/c1-4-5-6-7-20-21-11-10-18(30-21)14-17-8-9-19(29-17)15-25-27(2,3)16-24(32-25)26(28)23-13-12-22(20)31-23/h8-15,29-30H,4-7,16H2,1-3H3


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