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

Systemtic Name: aluminum 1,9-ditert-butyl-3,7-dimethyl-11-oxidanidyl-11-oxidanylidene-benzo[d][1,3,2]benzodioxaphosphocine-5,5-diol Openeye Name: aluminum 1,9-ditert-butyl-3,7-dimethyl-11-oxido-11-oxo-benzo[d][1,3,2]benzodioxaphosphocine-5,5-diol CAS Name: aluminum 1,9-ditert-butyl-3,7-dimethyl-11-oxido-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5,5-diol IUPAC Name: aluminum 1,9-ditert-butyl-3,7-dimethyl-11-oxido-11-oxobenzo[d][1,3,2]benzodioxaphosphocine-5,5-diol Traditional Name: aluminum 1,9-ditert-butyl-11-keto-3,7-dimethyl-11-oxido-benzo[d][1,3,2]benzodioxaphosphocin-5,5-diol Formula: C69H90AlO18P3 MolecularWeight: 1327.344921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)(O)O)C(C)(C)C.CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)(O)O)C(C)(C)C.CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)(O)O)C(C)(C)C.[Al+3]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)(O)O)C(C)(C)C.CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)(O)O)C(C)(C)C.CC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)(O)O)C(C)(C)C.[Al+3]

InChI

InChI=1S/3C23H31O6P.Al/c3*1-13-9-15(21(3,4)5)19-17(11-13)23(24,25)18-12-14(2)10-16(22(6,7)8)20(18)29-30(26,27)28-19;/h3*9-12,24-25H,1-8H3,(H,26,27);/q;;;+3/p-3