2-(1-adamantyl)-4-[2-chloranyl-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]phenol

Systemtic Name: 2-(1-adamantyl)-4-[2-chloranyl-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]phenol Openeye Name: 2-(1-adamantyl)-4-[2-chloro-4-[(E)-2-diethoxyphosphorylvinyl]phenyl]phenol CAS Name: 2-(1-adamantyl)-4-[2-chloro-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]phenol IUPAC Name: 2-(1-adamantyl)-4-[2-chloro-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]phenol Traditional Name: 2-(1-adamantyl)-4-[2-chloro-4-[(E)-2-diethoxyphosphorylvinyl]phenyl]phenol Formula: C28H34ClO4P MolecularWeight: 500.993921

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC1=CC(=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Cl)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C1=CC(=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Cl)OCC

InChI

InChI=1S/C28H34ClO4P/c1-3-32-34(31,33-4-2)10-9-19-5-7-24(26(29)14-19)23-6-8-27(30)25(15-23)28-16-20-11-21(17-28)13-22(12-20)18-28/h5-10,14-15,20-22,30H,3-4,11-13,16-18H2,1-2H3/b10-9+