4-(4-diazo-3,6-dioctoxy-cyclohexa-1,5-dien-1-yl)morpholine; fluoranylphosphonic acid

Systemtic Name: 4-(4-diazo-3,6-dioctoxy-cyclohexa-1,5-dien-1-yl)morpholine; fluoranylphosphonic acid Openeye Name: 4-(4-diazo-3,6-dioctoxy-cyclohexa-1,5-dien-1-yl)morpholine; fluorophosphonic acid CAS Name: 4-(4-diazo-3,6-dioctoxy-1-cyclohexa-1,5-dienyl)morpholine; fluorophosphonic acid IUPAC Name: 4-(4-diazo-3,6-dioctoxycyclohexa-1,5-dien-1-yl)morpholine; fluorophosphonic acid Traditional Name: 4-(4-diazo-3,6-dioctoxy-cyclohexa-1,5-dien-1-yl)morpholine; fluorophosphonic acid Formula: C26H57F6N3O21P6 MolecularWeight: 1047.571265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C=C(C(=CC1=[N+]=[N-])OCCCCCCCC)N2CCOCC2.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F

Isomeric SMILES

CCCCCCCCOC1C=C(C(=CC1=[N+]=[N-])OCCCCCCCC)N2CCOCC2.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F

InChI

InChI=1S/C26H45N3O3.6FH2O3P/c1-3-5-7-9-11-13-17-31-25-22-24(29-15-19-30-20-16-29)26(21-23(25)28-27)32-18-14-12-10-8-6-4-2;6*1-5(2,3)4/h21-22,25H,3-20H2,1-2H3;6*(H2,2,3,4)