4-azanyl-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-azanyl-1-(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-amino-1-(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-amino-1-(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-amino-1-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-amino-1-(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid Formula: C12H23NO6S MolecularWeight: 309.37912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C12H23NO6S/c1-3-5-6-9(4-2)8-19-12(15)10(7-11(13)14)20(16,17)18/h9-10H,3-8H2,1-2H3,(H2,13,14)(H,16,17,18)