1,9-ditert-butyl-3,7-dimethyl-11-oxidanidyl-benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide

Systemtic Name: 1,9-ditert-butyl-3,7-dimethyl-11-oxidanidyl-benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide Openeye Name: 1,9-ditert-butyl-3,7-dimethyl-11-oxido-benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide CAS Name: 1,9-ditert-butyl-3,7-dimethyl-11-oxidobenzo[d][1,3,6,2]benzodioxathiaphosphocin 11-oxide IUPAC Name: 1,9-ditert-butyl-3,7-dimethyl-11-oxidobenzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide Traditional Name: 1,9-ditert-butyl-3,7-dimethyl-11-oxido-benzo[d][1,3,6,2]benzodioxathiaphosphocin 11-oxide Formula: C22H28O4PS- MolecularWeight: 419.494081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3OP(=O)(O2)[O-])C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C22H29O4PS/c1-13-9-15(21(3,4)5)19-17(11-13)28-18-12-14(2)10-16(22(6,7)8)20(18)26-27(23,24)25-19/h9-12H,1-8H3,(H,23,24)/p-1