aluminum 1,3,7,9-tetratert-butyl-11-oxidanidyl-11-oxidanylidene-benzo[d][1,3,2]benzodioxaphosphocine-5,5-diol

Systemtic Name: aluminum 1,3,7,9-tetratert-butyl-11-oxidanidyl-11-oxidanylidene-benzo[d][1,3,2]benzodioxaphosphocine-5,5-diol Openeye Name: aluminum 1,3,7,9-tetratert-butyl-11-oxido-11-oxo-benzo[d][1,3,2]benzodioxaphosphocine-5,5-diol CAS Name: aluminum 1,3,7,9-tetratert-butyl-11-oxido-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5,5-diol IUPAC Name: aluminum 1,3,7,9-tetratert-butyl-11-oxido-11-oxobenzo[d][1,3,2]benzodioxaphosphocine-5,5-diol Traditional Name: aluminum 1,3,7,9-tetratert-butyl-11-keto-11-oxido-benzo[d][1,3,2]benzodioxaphosphocin-5,5-diol Formula: C87H126AlO18P3 MolecularWeight: 1579.823361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)(O)O)C(C)(C)C.CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)(O)O)C(C)(C)C.CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)(O)O)C(C)(C)C.[Al+3]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)(O)O)C(C)(C)C.CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)(O)O)C(C)(C)C.CC(C)(C)C1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C(C)(C)C)(O)O)C(C)(C)C.[Al+3]

InChI

InChI=1S/3C29H43O6P.Al/c3*1-25(2,3)17-13-19(27(7,8)9)23-21(15-17)29(30,31)22-16-18(26(4,5)6)14-20(28(10,11)12)24(22)35-36(32,33)34-23;/h3*13-16,30-31H,1-12H3,(H,32,33);/q;;;+3/p-3