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2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin

2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name:2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin
Openeye Name:2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin
CAS Name:2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin
IUPAC Name:2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphyrin
Traditional Name:2,7,12,17-tetranitro-3,8,13,18-tetraphenyl-21,22-dihydroporphine
Formula: C44H26N8O8
MolecularWeight: 794.72604
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC4=NC(=CC5=NC(=CC6=C(C(=C(N6)C=C2N3)[N+](=O)[O-])C7=CC=CC=C7)C(=C5C8=CC=CC=C8)[N+](=O)[O-])C(=C4C9=CC=CC=C9)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC4=NC(=CC5=NC(=CC6=C(C(=C(N6)C=C2N3)[N+](=O)[O-])C7=CC=CC=C7)C(=C5C8=CC=CC=C8)[N+](=O)[O-])C(=C4C9=CC=CC=C9)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C44H26N8O8/c53-49(54)41-33-22-30-38(26-15-7-2-8-16-26)43(51(57)58)35(47-30)24-32-40(28-19-11-4-12-20-28)44(52(59)60)36(48-32)23-31-39(27-17-9-3-10-18-27)42(50(55)56)34(46-31)21-29(45-33)37(41)25-13-5-1-6-14-25/h1-24,45-46H


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