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

Systemtic Name: 10-butyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 10-butyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 10-butyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 10-butyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 10-butyl-15-hexyl-20-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphine Formula: C45H47N5O5 MolecularWeight: 737.88518

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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)CCCC)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)CCCC)C6=CC(=C(C(=C6)OC)OC)OC)N3)C7=CC(=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C45H47N5O5/c1-6-8-10-11-16-32-34-18-17-33(46-34)31(15-9-7-2)35-20-22-39(48-35)44(29-26-41(53-3)45(55-5)42(27-29)54-4)40-24-23-38(49-40)43(37-21-19-36(32)47-37)28-13-12-14-30(25-28)50(51)52/h12-14,17-27,48-49H,6-11,15-16H2,1-5H3