sodium 1,9-ditert-butyl-3,7-diethyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

Systemtic Name: sodium 1,9-ditert-butyl-3,7-diethyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: sodium 1,9-ditert-butyl-3,7-diethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: sodium 1,9-ditert-butyl-3,7-diethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: sodium 1,9-ditert-butyl-3,7-diethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: sodium 1,9-ditert-butyl-3,7-diethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C25H34NaO4P MolecularWeight: 452.498591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)CC)C(C)(C)C.[Na+]

Isomeric SMILES

CCC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)CC)C(C)(C)C.[Na+]

InChI

InChI=1S/C25H35O4P.Na/c1-9-16-11-18-15-19-12-17(10-2)14-21(25(6,7)8)23(19)29-30(26,27)28-22(18)20(13-16)24(3,4)5;/h11-14H,9-10,15H2,1-8H3,(H,26,27);/q;+1/p-1