5-(2-methylheptan-2-ylcarbamoyl)furan-2-sulfonic acid

Systemtic Name: 5-(2-methylheptan-2-ylcarbamoyl)furan-2-sulfonic acid Openeye Name: 5-(1,1-dimethylhexylcarbamoyl)furan-2-sulfonic acid CAS Name: 5-[(2-methylheptan-2-ylamino)-oxomethyl]-2-furansulfonic acid IUPAC Name: 5-(2-methylheptan-2-ylcarbamoyl)furan-2-sulfonic acid Traditional Name: 5-(1,1-dimethylhexylcarbamoyl)furan-2-sulfonic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)NC(=O)C1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CCCCCC(C)(C)NC(=O)C1=CC=C(O1)S(=O)(=O)O

InChI

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