5-[bis(2-methylpropyl)carbamoyl]furan-2-sulfonic acid

Systemtic Name: 5-[bis(2-methylpropyl)carbamoyl]furan-2-sulfonic acid Openeye Name: 5-(diisobutylcarbamoyl)furan-2-sulfonic acid CAS Name: 5-[[bis(2-methylpropyl)amino]-oxomethyl]-2-furansulfonic acid IUPAC Name: 5-[bis(2-methylpropyl)carbamoyl]furan-2-sulfonic acid Traditional Name: 5-(diisobutylcarbamoyl)furan-2-sulfonic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)C1=CC=C(O1)S(=O)(=O)O

InChI

InChI=1S/C13H21NO5S/c1-9(2)7-14(8-10(3)4)13(15)11-5-6-12(19-11)20(16,17)18/h5-6,9-10H,7-8H2,1-4H3,(H,16,17,18)