2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonic acid

Systemtic Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonic acid Openeye Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonic acid CAS Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonic acid IUPAC Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonic acid Traditional Name: 2-[4,7-bis(2-sulfoethyl)-1,4,7-triazonan-1-yl]ethanesulfonic acid Formula: C12H27N3O9S3 MolecularWeight: 453.55248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1CN(CCN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C12H27N3O9S3/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)