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

Systemtic Name: sodium 3,7-dibutyl-1,9-ditert-butyl-5-methyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: sodium 3,7-dibutyl-1,9-ditert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: sodium 3,7-dibutyl-1,9-ditert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: sodium 3,7-dibutyl-1,9-ditert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: sodium 3,7-dibutyl-1,9-ditert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C30H44NaO4P MolecularWeight: 522.631491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)CCCC)C)C(C)(C)C.[Na+]

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)CCCC)C)C(C)(C)C.[Na+]

InChI

InChI=1S/C30H45O4P.Na/c1-10-12-14-21-16-23-20(3)24-17-22(15-13-11-2)19-26(30(7,8)9)28(24)34-35(31,32)33-27(23)25(18-21)29(4,5)6;/h16-20H,10-15H2,1-9H3,(H,31,32);/q;+1/p-1