[6-azanyl-1-(4-oxidanylphenoxy)-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-azanyl-1-(4-oxidanylphenoxy)-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-amino-1-(4-hydroxyphenoxy)-1-phosphono-hexyl]phosphonic acid CAS Name: [6-amino-1-(4-hydroxyphenoxy)-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-amino-1-(4-hydroxyphenoxy)-1-phosphonohexyl]phosphonic acid Traditional Name: [6-amino-1-(4-hydroxyphenoxy)-1-phosphono-hexyl]phosphonic acid Formula: C12H21NO8P2 MolecularWeight: 369.244562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OC(CCCCCN)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1O)OC(CCCCCN)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H21NO8P2/c13-9-3-1-2-8-12(22(15,16)17,23(18,19)20)21-11-6-4-10(14)5-7-11/h4-7,14H,1-3,8-9,13H2,(H2,15,16,17)(H2,18,19,20)