10-bromanyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10-bromanyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 10-bromo-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 10-bromo-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 10-bromo-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 10-bromo-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphine Formula: C41H38BrN5O5 MolecularWeight: 760.67492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)Br)C6=CC(=C(C(=C6)OC)OC)OC)N3)C7=CC(=CC=C7)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)Br)C6=CC(=C(C(=C6)OC)OC)OC)N3)C7=CC(=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H38BrN5O5/c1-5-6-7-8-12-27-28-13-15-30(43-28)38(24-10-9-11-26(21-24)47(48)49)31-16-17-32(45-31)39(25-22-36(50-2)41(52-4)37(23-25)51-3)33-18-20-35(46-33)40(42)34-19-14-29(27)44-34/h9-11,13-23,45-46H,5-8,12H2,1-4H3