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

Systemtic Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-benzo[d][1,3,6,2]benzodioxathiaphosphocine Openeye Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-benzo[d][1,3,6,2]benzodioxathiaphosphocine CAS Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxybenzo[d][1,3,6,2]benzodioxathiaphosphocin IUPAC Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine Traditional Name: 1,9-ditert-butyl-3,7-dimethyl-11-stearyloxy-benzo[d][1,3,6,2]benzodioxathiaphosphocin Formula: C40H65O3PS MolecularWeight: 656.981061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP1OC2=C(C=C(C=C2SC3=CC(=CC(=C3O1)C(C)(C)C)C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP1OC2=C(C=C(C=C2SC3=CC(=CC(=C3O1)C(C)(C)C)C)C)C(C)(C)C

InChI

InChI=1S/C40H65O3PS/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-41-44-42-37-33(39(4,5)6)27-31(2)29-35(37)45-36-30-32(3)28-34(38(36)43-44)40(7,8)9/h27-30H,10-26H2,1-9H3