aluminum 1,3,7,9-tetratert-butyl-5-methyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

Systemtic Name: aluminum 1,3,7,9-tetratert-butyl-5-methyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: aluminum 1,3,7,9-tetratert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: aluminum 1,3,7,9-tetratert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: aluminum 1,3,7,9-tetratert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: aluminum 1,3,7,9-tetratert-butyl-5-methyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C90H132AlO12P3 MolecularWeight: 1525.906701

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=CC(=C2OP(=O)(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C.CC1C2=CC(=CC(=C2OP(=O)(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C.CC1C2=CC(=CC(=C2OP(=O)(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C.[Al+3]

Isomeric SMILES

CC1C2=CC(=CC(=C2OP(=O)(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C.CC1C2=CC(=CC(=C2OP(=O)(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C.CC1C2=CC(=CC(=C2OP(=O)(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)[O-])C(C)(C)C)C(C)(C)C.[Al+3]

InChI

InChI=1S/3C30H45O4P.Al/c3*1-18-21-14-19(27(2,3)4)16-23(29(8,9)10)25(21)33-35(31,32)34-26-22(18)15-20(28(5,6)7)17-24(26)30(11,12)13;/h3*14-18H,1-13H3,(H,31,32);/q;;;+3/p-3