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

Systemtic Name: [16-(phosphonomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methylphosphonic acid Openeye Name: [16-(phosphonomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methylphosphonic acid CAS Name: [16-(phosphonomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methylphosphonic acid IUPAC Name: [16-(phosphonomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methylphosphonic acid Traditional Name: [16-(phosphonomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methylphosphonic acid Formula: C14H32N2O10P2 MolecularWeight: 450.358802

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C14H32N2O10P2/c17-27(18,19)13-15-1-5-23-9-10-25-7-3-16(14-28(20,21)22)4-8-26-12-11-24-6-2-15/h1-14H2,(H2,17,18,19)(H2,20,21,22)