[1-[(4-nonylphenyl)methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid

Systemtic Name: [1-[(4-nonylphenyl)methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid Openeye Name: [3-hydroxy-1-[(4-nonylphenyl)methyl]pyrrolidin-3-yl]phosphonic acid CAS Name: [3-hydroxy-1-[(4-nonylphenyl)methyl]-3-pyrrolidinyl]phosphonic acid IUPAC Name: [3-hydroxy-1-[(4-nonylphenyl)methyl]pyrrolidin-3-yl]phosphonic acid Traditional Name: [3-hydroxy-1-(4-nonylbenzyl)pyrrolidin-3-yl]phosphonic acid Formula: C20H34NO4P MolecularWeight: 383.462021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CN2CCC(C2)(O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CN2CCC(C2)(O)P(=O)(O)O

InChI

InChI=1S/C20H34NO4P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(22,17-21)26(23,24)25/h10-13,22H,2-9,14-17H2,1H3,(H2,23,24,25)