1,9-dicyclohexyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: 1,9-dicyclohexyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,9-dicyclohexyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,9-dicyclohexyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,9-dicyclohexyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,9-dicyclohexyl-3,7-dimethyl-11-stearyloxy-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C45H71O3P MolecularWeight: 691.017201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C4CCCCC4)C)C)C5CCCCC5

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C4CCCCC4)C)C)C5CCCCC5

InChI

InChI=1S/C45H71O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-46-49-47-44-40(31-36(2)33-42(44)38-26-21-19-22-27-38)35-41-32-37(3)34-43(45(41)48-49)39-28-23-20-24-29-39/h31-34,38-39H,4-30,35H2,1-3H3