calcium 1,9-ditert-butyl-3,7-dimethyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

Systemtic Name: calcium 1,9-ditert-butyl-3,7-dimethyl-11-oxidanidyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: calcium 1,9-ditert-butyl-3,7-dimethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: calcium 1,9-ditert-butyl-3,7-dimethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: calcium 1,9-ditert-butyl-3,7-dimethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: calcium 1,9-ditert-butyl-3,7-dimethyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C46H60CaO8P2 MolecularWeight: 842.989322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)C(C)(C)C.CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)C(C)(C)C.[Ca+2]

Isomeric SMILES

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)C(C)(C)C.CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)C(C)(C)C.[Ca+2]

InChI

InChI=1S/2C23H31O4P.Ca/c2*1-14-9-16-13-17-10-15(2)12-19(23(6,7)8)21(17)27-28(24,25)26-20(16)18(11-14)22(3,4)5;/h2*9-12H,13H2,1-8H3,(H,24,25);/q;;+2/p-2