1-chloranyl-2-[(2-chloranyl-1-sulfo-ethyl)-(3-methoxypropyl)amino]ethanesulfonic acid

Systemtic Name: 1-chloranyl-2-[(2-chloranyl-1-sulfo-ethyl)-(3-methoxypropyl)amino]ethanesulfonic acid Openeye Name: 1-chloro-2-[(2-chloro-1-sulfo-ethyl)-(3-methoxypropyl)amino]ethanesulfonic acid CAS Name: 1-chloro-2-[(2-chloro-1-sulfoethyl)-(3-methoxypropyl)amino]ethanesulfonic acid IUPAC Name: 1-chloro-2-[(2-chloro-1-sulfoethyl)-(3-methoxypropyl)amino]ethanesulfonic acid Traditional Name: 1-chloro-2-[(2-chloro-1-sulfo-ethyl)-(3-methoxypropyl)amino]ethanesulfonic acid Formula: C8H17Cl2NO7S2 MolecularWeight: 374.25908

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC(S(=O)(=O)O)Cl)C(CCl)S(=O)(=O)O

Isomeric SMILES

COCCCN(CC(S(=O)(=O)O)Cl)C(CCl)S(=O)(=O)O

InChI

InChI=1S/C8H17Cl2NO7S2/c1-18-4-2-3-11(6-7(10)19(12,13)14)8(5-9)20(15,16)17/h7-8H,2-6H2,1H3,(H,12,13,14)(H,15,16,17)