2-[16-[1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanedioic acid

Systemtic Name: 2-[16-[1,3-bis(oxidanyl)-1,3-bis(oxidanylidene)propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanedioic acid Openeye Name: 2-[16-(1-carboxy-2-hydroxy-2-oxo-ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanedioic acid CAS Name: 2-[16-(1,3-dihydroxy-1,3-dioxopropan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanedioic acid IUPAC Name: 2-[16-(1,3-dihydroxy-1,3-dioxopropan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanedioic acid Traditional Name: 2-[16-(1-carboxy-2-hydroxy-2-keto-ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]malonic acid Formula: C18H30N2O12 MolecularWeight: 466.437

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H30N2O12/c21-15(22)13(16(23)24)19-1-5-29-9-10-31-7-3-20(14(17(25)26)18(27)28)4-8-32-12-11-30-6-2-19/h13-14H,1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)