1-[5-[2-chloranyl-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]-2-phenylmethoxy-phenyl]adamantane

Systemtic Name: 1-[5-[2-chloranyl-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]-2-phenylmethoxy-phenyl]adamantane Openeye Name: 1-[2-benzyloxy-5-[2-chloro-4-[(E)-2-diethoxyphosphorylvinyl]phenyl]phenyl]adamantane CAS Name: 1-[5-[2-chloro-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]-2-phenylmethoxyphenyl]adamantane IUPAC Name: 1-[5-[2-chloro-4-[(E)-2-diethoxyphosphorylethenyl]phenyl]-2-phenylmethoxyphenyl]adamantane Traditional Name: 1-[2-benzoxy-5-[2-chloro-4-[(E)-2-diethoxyphosphorylvinyl]phenyl]phenyl]adamantane Formula: C35H40ClO4P MolecularWeight: 591.116461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC1=CC(=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C1=CC(=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl)OCC

InChI

InChI=1S/C35H40ClO4P/c1-3-39-41(37,40-4-2)15-14-25-10-12-31(33(36)19-25)30-11-13-34(38-24-26-8-6-5-7-9-26)32(20-30)35-21-27-16-28(22-35)18-29(17-27)23-35/h5-15,19-20,27-29H,3-4,16-18,21-24H2,1-2H3/b15-14+