2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid

Systemtic Name: 2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid Openeye Name: 2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid CAS Name: 2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid IUPAC Name: 2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid Traditional Name: 2-[16-(2-phosphonoethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethylphosphonic acid Formula: C16H36N2O10P2 MolecularWeight: 478.411962

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1CCP(=O)(O)O)CCP(=O)(O)O

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1CCP(=O)(O)O)CCP(=O)(O)O

InChI

InChI=1S/C16H36N2O10P2/c19-29(20,21)15-5-17-1-7-25-11-12-27-9-3-18(6-16-30(22,23)24)4-10-28-14-13-26-8-2-17/h1-16H2,(H2,19,20,21)(H2,22,23,24)