5,15-dihexyl-10,20-bis[(E)-2-(4-nitrophenyl)ethenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,15-dihexyl-10,20-bis[(E)-2-(4-nitrophenyl)ethenyl]-21,22-dihydroporphyrin Openeye Name: 5,15-dihexyl-10,20-bis[(E)-2-(4-nitrophenyl)vinyl]-21,22-dihydroporphyrin CAS Name: 5,15-dihexyl-10,20-bis[(E)-2-(4-nitrophenyl)ethenyl]-21,22-dihydroporphyrin IUPAC Name: 5,15-dihexyl-10,20-bis[(E)-2-(4-nitrophenyl)ethenyl]-21,22-dihydroporphyrin Traditional Name: 5,15-dihexyl-10,20-bis[(E)-2-(4-nitrophenyl)vinyl]-21,22-dihydroporphine Formula: C48H48N6O4 MolecularWeight: 772.93252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)C=CC6=CC=C(C=C6)[N+](=O)[O-])C=C4)CCCCCC)C=C3)C=CC7=CC=C(C=C7)[N+](=O)[O-])N2

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1N5)/C=C/C6=CC=C(C=C6)[N+](=O)[O-])C=C4)CCCCCC)C=C3)/C=C/C7=CC=C(C=C7)[N+](=O)[O-])N2

InChI

InChI=1S/C48H48N6O4/c1-3-5-7-9-11-37-41-25-29-45(49-41)39(23-17-33-13-19-35(20-14-33)53(55)56)47-31-27-43(51-47)38(12-10-8-6-4-2)44-28-32-48(52-44)40(46-30-26-42(37)50-46)24-18-34-15-21-36(22-16-34)54(57)58/h13-32,49-50H,3-12H2,1-2H3/b23-17+,24-18+,41-37?,42-37?,43-38?,44-38?,45-39?,46-40?,47-39?,48-40?