2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetranitro-21,22-dihydroporphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetranitro-21,22-dihydroporphyrin Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetranitro-21,22-dihydroporphyrin CAS Name: 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetranitro-21,22-dihydroporphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetranitro-21,22-dihydroporphyrin Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetranitro-21,22-dihydroporphine Formula: C36H42N8O8 MolecularWeight: 714.76748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)[N+](=O)[O-])CC)CC)[N+](=O)[O-])C(=C4CC)CC)[N+](=O)[O-])C(=C3CC)CC)[N+](=O)[O-])CC

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)[N+](=O)[O-])CC)CC)[N+](=O)[O-])C(=C4CC)CC)[N+](=O)[O-])C(=C3CC)CC)[N+](=O)[O-])CC

InChI

InChI=1S/C36H42N8O8/c1-9-17-18(10-2)26-34(42(47)48)28-21(13-5)22(14-6)30(39-28)36(44(51)52)32-24(16-8)23(15-7)31(40-32)35(43(49)50)29-20(12-4)19(11-3)27(38-29)33(41(45)46)25(17)37-26/h37-38H,9-16H2,1-8H3