[3-[methyl-[3-(3-methylphenoxy)propyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl-[3-(3-methylphenoxy)propyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl-[3-(3-methylphenoxy)propyl]amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[3-(3-methylphenoxy)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl-[3-(3-methylphenoxy)propyl]amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[3-(3-methylphenoxy)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C14H25NO8P2 MolecularWeight: 397.297722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H25NO8P2/c1-12-5-3-6-13(11-12)23-10-4-8-15(2)9-7-14(16,24(17,18)19)25(20,21)22/h3,5-6,11,16H,4,7-10H2,1-2H3,(H2,17,18,19)(H2,20,21,22)