(E)-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-ene-1-sulfonic acid

Systemtic Name: (E)-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-ene-1-sulfonic acid Openeye Name: (E)-3-(tert-butoxycarbonylamino)-6-methyl-hept-1-ene-1-sulfonic acid CAS Name: (E)-6-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-heptene-1-sulfonic acid IUPAC Name: (E)-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hept-1-ene-1-sulfonic acid Traditional Name: (E)-3-(tert-butoxycarbonylamino)-6-methyl-hept-1-ene-1-sulfonic acid Formula: C13H25NO5S MolecularWeight: 307.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C=CS(=O)(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC(/C=C/S(=O)(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H25NO5S/c1-10(2)6-7-11(8-9-20(16,17)18)14-12(15)19-13(3,4)5/h8-11H,6-7H2,1-5H3,(H,14,15)(H,16,17,18)/b9-8+