[2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [2-[2,3-dihydrobenzothiophen-2-ylmethyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [2-[2,3-dihydrobenzothiophen-2-ylmethyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C13H21NO7P2S MolecularWeight: 397.320862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CC1CC2=CC=CC=C2S1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CC1CC2=CC=CC=C2S1

InChI

InChI=1S/C13H21NO7P2S/c1-9(13(15,22(16,17)18)23(19,20)21)14(2)8-11-7-10-5-3-4-6-12(10)24-11/h3-6,9,11,15H,7-8H2,1-2H3,(H2,16,17,18)(H2,19,20,21)