disodium 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylate

Systemtic Name: disodium 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylate Openeye Name: disodium 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylate CAS Name: disodium 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylate IUPAC Name: disodium 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylate Traditional Name: disodium 5-stearyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylate Formula: C42H76N6Na2O4 MolecularWeight: 775.07018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CN(N21)C(=O)[O-].CCCCCCCCCCCCCCCCCCN1C2=CN(N21)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=CN(N21)C(=O)[O-].CCCCCCCCCCCCCCCCCCN1C2=CN(N21)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C21H39N3O2.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20-19-23(21(25)26)24(20)22;;/h2*19H,2-18H2,1H3,(H,25,26);;/q;;2*+1/p-2