[3-[(5-chloranyl-2-adamantylidene)-(2-phenoxyethoxy)methyl]phenyl] dihydrogen phosphate

Systemtic Name: [3-[(5-chloranyl-2-adamantylidene)-(2-phenoxyethoxy)methyl]phenyl] dihydrogen phosphate Openeye Name: [3-[(5-chloro-2-adamantylidene)-(2-phenoxyethoxy)methyl]phenyl] dihydrogen phosphate CAS Name: [3-[(5-chloro-2-adamantylidene)-(2-phenoxyethoxy)methyl]phenyl] dihydrogen phosphate IUPAC Name: [3-[(5-chloro-2-adamantylidene)-(2-phenoxyethoxy)methyl]phenyl] dihydrogen phosphate Traditional Name: [3-[(5-chloro-2-adamantylidene)-(2-phenoxyethoxy)methyl]phenyl] dihydrogen phosphate Formula: C25H28ClO6P MolecularWeight: 490.912981

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=C(C4=CC(=CC=C4)OP(=O)(O)O)OCCOC5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3=C(C4=CC(=CC=C4)OP(=O)(O)O)OCCOC5=CC=CC=C5)Cl

InChI

InChI=1S/C25H28ClO6P/c26-25-14-17-11-19(15-25)23(20(12-17)16-25)24(31-10-9-30-21-6-2-1-3-7-21)18-5-4-8-22(13-18)32-33(27,28)29/h1-8,13,17,19-20H,9-12,14-16H2,(H2,27,28,29)