1,2-dinitro-4,5-bis(octadec-1-ynyl)benzene

Systemtic Name: 1,2-dinitro-4,5-bis(octadec-1-ynyl)benzene Openeye Name: 1,2-dinitro-4,5-bis(octadec-1-ynyl)benzene CAS Name: 1,2-dinitro-4,5-bis(octadec-1-ynyl)benzene IUPAC Name: 1,2-dinitro-4,5-bis(octadec-1-ynyl)benzene Traditional Name: 1,2-dinitro-4,5-bis(octadec-1-ynyl)benzene Formula: C42H68N2O4 MolecularWeight: 665.00032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC1=CC(=C(C=C1C#CCCCCCCCCCCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC1=CC(=C(C=C1C#CCCCCCCCCCCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C42H68N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-41(43(45)46)42(44(47)48)38-40(39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-32H2,1-2H3