2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonate; copper

Systemtic Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonate; copper Openeye Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonate; copper CAS Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonate; copper IUPAC Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonate; copper Traditional Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonate; copper Formula: C12H26CuN3O9S3- MolecularWeight: 516.09054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-])CCS(=O)(=O)O.[Cu]

Isomeric SMILES

C1CN(CCN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-])CCS(=O)(=O)O.[Cu]

InChI

InChI=1S/C12H27N3O9S3.Cu/c16-25(17,18)10-7-13-1-2-14(8-11-26(19,20)21)5-6-15(4-3-13)9-12-27(22,23)24;/h1-12H2,(H,16,17,18)(H,19,20,21)(H,22,23,24);/p-1