2-azanyl-3-methyl-butanoic acid; 2-sulfobenzene-1,3-dicarboxylic acid

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 2-sulfobenzene-1,3-dicarboxylic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 2-sulfobenzene-1,3-dicarboxylic acid CAS Name: 2-amino-3-methylbutanoic acid; 2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 2-amino-3-methyl-butyric acid; 2-sulfoisophthalic acid Formula: C13H17NO9S MolecularWeight: 363.34038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)N.C1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H6O7S.C5H11NO2/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;1-3(2)4(6)5(7)8/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);3-4H,6H2,1-2H3,(H,7,8)