[1-[[3,5-bis(bromanyl)-4-octoxy-phenyl]methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid

Systemtic Name: [1-[[3,5-bis(bromanyl)-4-octoxy-phenyl]methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid Openeye Name: [1-[(3,5-dibromo-4-octoxy-phenyl)methyl]-3-hydroxy-pyrrolidin-3-yl]phosphonic acid CAS Name: [1-[(3,5-dibromo-4-octoxyphenyl)methyl]-3-hydroxy-3-pyrrolidinyl]phosphonic acid IUPAC Name: [1-[(3,5-dibromo-4-octoxyphenyl)methyl]-3-hydroxypyrrolidin-3-yl]phosphonic acid Traditional Name: [1-(3,5-dibromo-4-octoxy-benzyl)-3-hydroxy-pyrrolidin-3-yl]phosphonic acid Formula: C19H30Br2NO5P MolecularWeight: 543.226961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Br)CN2CCC(C2)(O)P(=O)(O)O)Br

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Br)CN2CCC(C2)(O)P(=O)(O)O)Br

InChI

InChI=1S/C19H30Br2NO5P/c1-2-3-4-5-6-7-10-27-18-16(20)11-15(12-17(18)21)13-22-9-8-19(23,14-22)28(24,25)26/h11-12,23H,2-10,13-14H2,1H3,(H2,24,25,26)