3-methyl-2-oxidanylidene-butanoic acid; 3-methyl-2-oxidanylidene-pentanoic acid; 4-methyl-2-oxidanylidene-pentanoic acid; 4-methylsulfanyl-2-oxidanyl-butanoic acid; 2-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 3-methyl-2-oxidanylidene-butanoic acid; 3-methyl-2-oxidanylidene-pentanoic acid; 4-methyl-2-oxidanylidene-pentanoic acid; 4-methylsulfanyl-2-oxidanyl-butanoic acid; 2-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-hydroxy-4-methylsulfanyl-butanoic acid; 3-methyl-2-oxo-butanoic acid; 3-methyl-2-oxo-pentanoic acid; 4-methyl-2-oxo-pentanoic acid; 2-oxo-3-phenyl-propanoic acid CAS Name: 2-hydroxy-4-(methylthio)butanoic acid; 3-methyl-2-oxobutanoic acid; 3-methyl-2-oxopentanoic acid; 4-methyl-2-oxopentanoic acid; 2-oxo-3-phenylpropanoic acid IUPAC Name: 2-hydroxy-4-methylsulfanylbutanoic acid; 3-methyl-2-oxobutanoic acid; 3-methyl-2-oxopentanoic acid; 4-methyl-2-oxopentanoic acid; 2-oxo-3-phenylpropanoic acid Traditional Name: 2-hydroxy-4-(methylthio)butyric acid; 2-keto-3-methyl-butyric acid; 2-keto-3-methyl-valeric acid; 2-keto-4-methyl-valeric acid; 2-keto-3-phenyl-propionic acid Formula: C31H46O15S MolecularWeight: 690.75294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)O.CC(C)CC(=O)C(=O)O.CC(C)C(=O)C(=O)O.CSCCC(C(=O)O)O.C1=CC=C(C=C1)CC(=O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)C(=O)O.CC(C)CC(=O)C(=O)O.CC(C)C(=O)C(=O)O.CSCCC(C(=O)O)O.C1=CC=C(C=C1)CC(=O)C(=O)O

InChI

InChI=1S/C9H8O3.2C6H10O3.C5H10O3S.C5H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-9-3-2-4(6)5(7)8;1-3(2)4(6)5(7)8/h1-5H,6H2,(H,11,12);2*4H,3H2,1-2H3,(H,8,9);4,6H,2-3H2,1H3,(H,7,8);3H,1-2H3,(H,7,8)