4-methyl-2-(phenylmethyl)-3-sulfonyl-pentanoic acid

Systemtic Name: 4-methyl-2-(phenylmethyl)-3-sulfonyl-pentanoic acid Openeye Name: 2-benzyl-4-methyl-3-sulfonyl-pentanoic acid CAS Name: 4-methyl-2-(phenylmethyl)-3-sulfonylpentanoic acid IUPAC Name: 2-benzyl-4-methyl-3-sulfonylpentanoic acid Traditional Name: 2-benzyl-4-methyl-3-sulfonyl-valeric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=S(=O)=O)C(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)C(=S(=O)=O)C(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-9(2)12(18(16)17)11(13(14)15)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)