2,3,6,7,10,11-hexahexoxy-1-nitro-triphenylene

Systemtic Name: 2,3,6,7,10,11-hexahexoxy-1-nitro-triphenylene Openeye Name: 2,3,6,7,10,11-hexahexoxy-1-nitro-triphenylene CAS Name: 2,3,6,7,10,11-hexahexoxy-1-nitrotriphenylene IUPAC Name: 2,3,6,7,10,11-hexahexoxy-1-nitrotriphenylene Traditional Name: 2,3,6,7,10,11-hexahexoxy-1-nitro-triphenylene Formula: C54H83NO8 MolecularWeight: 874.23872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=C(C(=C(C=C24)OCCCCCC)OCCCCCC)[N+](=O)[O-])OCCCCCC)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=C(C(=C(C=C24)OCCCCCC)OCCCCCC)[N+](=O)[O-])OCCCCCC)OCCCCCC)OCCCCCC

InChI

InChI=1S/C54H83NO8/c1-7-13-19-25-31-58-47-37-42-43-38-49(60-33-27-21-15-9-3)50(61-34-28-22-16-10-4)40-45(43)52-46(44(42)39-48(47)59-32-26-20-14-8-2)41-51(62-35-29-23-17-11-5)54(53(52)55(56)57)63-36-30-24-18-12-6/h37-41H,7-36H2,1-6H3