[3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2-chroman-3-ylethylamino)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[2-(3,4-dihydro-2H-1-benzopyran-3-yl)ethylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2-chroman-3-ylethylamino)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C14H23NO8P2 MolecularWeight: 395.281842

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C21)CCNCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1C(COC2=CC=CC=C21)CCNCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H23NO8P2/c16-14(24(17,18)19,25(20,21)22)6-8-15-7-5-11-9-12-3-1-2-4-13(12)23-10-11/h1-4,11,15-16H,5-10H2,(H2,17,18,19)(H2,20,21,22)