1,3,7,9-tetratert-butyl-5-methyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: 1,3,7,9-tetratert-butyl-5-methyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,3,7,9-tetratert-butyl-5-methyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,3,7,9-tetratert-butyl-5-methyl-11-(octylthio)-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,3,7,9-tetratert-butyl-5-methyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,3,7,9-tetratert-butyl-5-methyl-11-(octylthio)-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C38H61O2PS MolecularWeight: 612.928501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSP1OC2=C(C=C(C=C2C(C3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCSP1OC2=C(C=C(C=C2C(C3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C38H61O2PS/c1-15-16-17-18-19-20-21-42-41-39-33-29(22-27(35(3,4)5)24-31(33)37(9,10)11)26(2)30-23-28(36(6,7)8)25-32(34(30)40-41)38(12,13)14/h22-26H,15-21H2,1-14H3