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

Systemtic Name: sodium 1,9-ditert-butyl-5-methyl-11-oxidanidyl-3,7-dipropyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: sodium 1,9-ditert-butyl-5-methyl-11-oxido-3,7-dipropyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: sodium 1,9-ditert-butyl-5-methyl-11-oxido-3,7-dipropyl-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: sodium 1,9-ditert-butyl-5-methyl-11-oxido-3,7-dipropyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: sodium 1,9-ditert-butyl-5-methyl-11-oxido-3,7-dipropyl-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C28H40NaO4P MolecularWeight: 494.578331

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)CCC)C)C(C)(C)C.[Na+]

Isomeric SMILES

CCCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)CCC)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C28H41O4P.Na/c1-10-12-19-14-21-18(3)22-15-20(13-11-2)17-24(28(7,8)9)26(22)32-33(29,30)31-25(21)23(16-19)27(4,5)6;/h14-18H,10-13H2,1-9H3,(H,29,30);/q;+1/p-1