5-[di(butan-2-yl)carbamoyl]furan-2-sulfonic acid

Systemtic Name: 5-[di(butan-2-yl)carbamoyl]furan-2-sulfonic acid Openeye Name: 5-(disec-butylcarbamoyl)furan-2-sulfonic acid CAS Name: 5-[[di(butan-2-yl)amino]-oxomethyl]-2-furansulfonic acid IUPAC Name: 5-[di(butan-2-yl)carbamoyl]furan-2-sulfonic acid Traditional Name: 5-(disec-butylcarbamoyl)furan-2-sulfonic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)C1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CCC(C)N(C(C)CC)C(=O)C1=CC=C(O1)S(=O)(=O)O

InChI

InChI=1S/C13H21NO5S/c1-5-9(3)14(10(4)6-2)13(15)11-7-8-12(19-11)20(16,17)18/h7-10H,5-6H2,1-4H3,(H,16,17,18)