1,9-ditert-butyl-11-[(1,9-ditert-butyl-3,7-dimethyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)-thiophen-2-yl-methyl]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide

Systemtic Name: 1,9-ditert-butyl-11-[(1,9-ditert-butyl-3,7-dimethyl-11-oxidanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)-thiophen-2-yl-methyl]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Openeye Name: 1,9-ditert-butyl-11-[(1,9-ditert-butyl-3,7-dimethyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)-(2-thienyl)methyl]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide CAS Name: 1,9-ditert-butyl-11-[(1,9-ditert-butyl-3,7-dimethyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)-thiophen-2-ylmethyl]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide IUPAC Name: 1,9-ditert-butyl-11-[(1,9-ditert-butyl-3,7-dimethyl-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)-thiophen-2-ylmethyl]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide Traditional Name: 1,9-ditert-butyl-11-[(1,9-ditert-butyl-11-keto-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)-(2-thienyl)methyl]-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin 11-oxide Formula: C51H64O6P2S MolecularWeight: 867.062782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)C(C4=CC=CS4)P5(=O)OC6=C(C=C(C=C6CC7=CC(=CC(=C7O5)C(C)(C)C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(=O)(O2)C(C4=CC=CS4)P5(=O)OC6=C(C=C(C=C6CC7=CC(=CC(=C7O5)C(C)(C)C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C51H64O6P2S/c1-30-20-34-28-35-21-31(2)25-39(49(8,9)10)44(35)55-58(52,54-43(34)38(24-30)48(5,6)7)47(42-18-17-19-60-42)59(53)56-45-36(22-32(3)26-40(45)50(11,12)13)29-37-23-33(4)27-41(46(37)57-59)51(14,15)16/h17-27,47H,28-29H2,1-16H3