6,7,10,11-tetrahexoxy-2,3-dimethyl-1-nitro-triphenylene

Systemtic Name: 6,7,10,11-tetrahexoxy-2,3-dimethyl-1-nitro-triphenylene Openeye Name: 6,7,10,11-tetrahexoxy-2,3-dimethyl-1-nitro-triphenylene CAS Name: 6,7,10,11-tetrahexoxy-2,3-dimethyl-1-nitrotriphenylene IUPAC Name: 6,7,10,11-tetrahexoxy-2,3-dimethyl-1-nitrotriphenylene Traditional Name: 6,7,10,11-tetrahexoxy-2,3-dimethyl-1-nitro-triphenylene Formula: C44H63NO6 MolecularWeight: 701.97412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H63NO6/c1-7-11-15-19-23-48-39-28-34-35(29-40(39)49-24-20-16-12-8-2)37-27-32(5)33(6)44(45(46)47)43(37)38-31-42(51-26-22-18-14-10-4)41(30-36(34)38)50-25-21-17-13-9-3/h27-31H,7-26H2,1-6H3