1-methoxy-3-(2-methylbutylamino)-1-oxidanylidene-propane-2-sulfonic acid

Systemtic Name: 1-methoxy-3-(2-methylbutylamino)-1-oxidanylidene-propane-2-sulfonic acid Openeye Name: 1-methoxy-3-(2-methylbutylamino)-1-oxo-propane-2-sulfonic acid CAS Name: 1-methoxy-3-(2-methylbutylamino)-1-oxo-2-propanesulfonic acid IUPAC Name: 1-methoxy-3-(2-methylbutylamino)-1-oxopropane-2-sulfonic acid Traditional Name: 1-keto-1-methoxy-3-(2-methylbutylamino)propane-2-sulfonic acid Formula: C9H19NO5S MolecularWeight: 253.31586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNCC(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCC(C)CNCC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C9H19NO5S/c1-4-7(2)5-10-6-8(9(11)15-3)16(12,13)14/h7-8,10H,4-6H2,1-3H3,(H,12,13,14)