2-[2-[2-adamantylidene-(3-phosphonooxyphenyl)methoxy]ethyl]-2-chloranyl-propanedioic acid

Systemtic Name: 2-[2-[2-adamantylidene-(3-phosphonooxyphenyl)methoxy]ethyl]-2-chloranyl-propanedioic acid Openeye Name: 2-[2-[2-adamantylidene-(3-phosphonooxyphenyl)methoxy]ethyl]-2-chloro-propanedioic acid CAS Name: 2-[2-[2-adamantylidene-(3-phosphonooxyphenyl)methoxy]ethyl]-2-chloropropanedioic acid IUPAC Name: 2-[2-[2-adamantylidene-(3-phosphonooxyphenyl)methoxy]ethyl]-2-chloropropanedioic acid Traditional Name: 2-[2-[2-adamantylidene-(3-phosphonooxyphenyl)methoxy]ethyl]-2-chloro-malonic acid Formula: C22H26ClO9P MolecularWeight: 500.863201

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=C(C4=CC(=CC=C4)OP(=O)(O)O)OCCC(C(=O)O)(C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=C(C4=CC(=CC=C4)OP(=O)(O)O)OCCC(C(=O)O)(C(=O)O)Cl

InChI

InChI=1S/C22H26ClO9P/c23-22(20(24)25,21(26)27)4-5-31-19(14-2-1-3-17(11-14)32-33(28,29)30)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-3,11-13,15-16H,4-10H2,(H,24,25)(H,26,27)(H2,28,29,30)