disodium 2-[16-(1-oxidanidyl-4-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-oxidanyl-butanoate

Systemtic Name: disodium 2-[16-(1-oxidanidyl-4-oxidanyl-1-oxidanylidene-butan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-oxidanyl-butanoate Openeye Name: disodium 2-[16-(1-carboxylato-3-hydroxy-propyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-hydroxy-butanoate CAS Name: disodium 4-hydroxy-2-[16-(4-hydroxy-1-oxido-1-oxobutan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]butanoate IUPAC Name: disodium 4-hydroxy-2-[16-(4-hydroxy-1-oxido-1-oxobutan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]butanoate Traditional Name: disodium 2-[16-(1-carboxylato-3-hydroxy-propyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-hydroxy-butyrate Formula: C20H36N2Na2O10 MolecularWeight: 510.48678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCN(CCOCCOCCN1C(CCO)C(=O)[O-])C(CCO)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1COCCOCCN(CCOCCOCCN1C(CCO)C(=O)[O-])C(CCO)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H38N2O10.2Na/c23-7-1-17(19(25)26)21-3-9-29-13-15-31-11-5-22(18(2-8-24)20(27)28)6-12-32-16-14-30-10-4-21;;/h17-18,23-24H,1-16H2,(H,25,26)(H,27,28);;/q;2*+1/p-2