[2-azanyl-4-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [2-azanyl-4-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: (2-amino-4-chroman-3-yl-1-hydroxy-2-methyl-1-phosphono-butyl)phosphonic acid CAS Name: [2-amino-4-(3,4-dihydro-2H-1-benzopyran-3-yl)-1-hydroxy-2-methyl-1-phosphonobutyl]phosphonic acid IUPAC Name: [2-amino-4-(3,4-dihydro-2H-chromen-3-yl)-1-hydroxy-2-methyl-1-phosphonobutyl]phosphonic acid Traditional Name: (2-amino-4-chroman-3-yl-1-hydroxy-2-methyl-1-phosphono-butyl)phosphonic acid Formula: C14H23NO8P2 MolecularWeight: 395.281842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1CC2=CC=CC=C2OC1)(C(O)(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

CC(CCC1CC2=CC=CC=C2OC1)(C(O)(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C14H23NO8P2/c1-13(15,14(16,24(17,18)19)25(20,21)22)7-6-10-8-11-4-2-3-5-12(11)23-9-10/h2-5,10,16H,6-9,15H2,1H3,(H2,17,18,19)(H2,20,21,22)