[4-(4-morpholin-4-ylphenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(4-morpholin-4-ylphenyl)-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(4-morpholinophenyl)-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[4-(4-morpholinyl)phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(4-morpholin-4-ylphenyl)-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-keto-4-(4-morpholinophenyl)-1-phosphono-butyl]phosphonic acid Formula: C14H21NO8P2 MolecularWeight: 393.265962

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H21NO8P2/c16-13(5-6-14(24(17,18)19)25(20,21)22)11-1-3-12(4-2-11)15-7-9-23-10-8-15/h1-4,14H,5-10H2,(H2,17,18,19)(H2,20,21,22)