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

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

CC(N1CCOCCOCCN(CCOCCOCC1)C(C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(N1CCOCCOCCN(CCOCCOCC1)C(C)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H36N2O10P2/c1-15(29(19,20)21)17-3-7-25-11-13-27-9-5-18(16(2)30(22,23)24)6-10-28-14-12-26-8-4-17/h15-16H,3-14H2,1-2H3,(H2,19,20,21)(H2,22,23,24)