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

Systemtic Name: 10-hexyl-15-(3-nitrophenyl)-20-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 10-hexyl-15-(3-nitrophenyl)-20-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 10-hexyl-15-(3-nitrophenyl)-20-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 10-hexyl-15-(3-nitrophenyl)-20-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 10-hexyl-15-(3-nitrophenyl)-20-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphine Formula: C41H39N5O5 MolecularWeight: 681.77886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC(=CC=C7)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC(=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H39N5O5/c1-5-6-7-8-12-30-31-15-13-27(42-31)24-28-14-16-33(43-28)40(26-22-37(49-2)41(51-4)38(23-26)50-3)36-20-19-35(45-36)39(34-18-17-32(30)44-34)25-10-9-11-29(21-25)46(47)48/h9-11,13-24,42-43H,5-8,12H2,1-4H3