2-(phenylmethyl)sulfonylbutanedioic acid

Systemtic Name: 2-(phenylmethyl)sulfonylbutanedioic acid Openeye Name: 2-benzylsulfonylbutanedioic acid CAS Name: 2-(phenylmethyl)sulfonylbutanedioic acid IUPAC Name: 2-benzylsulfonylbutanedioic acid Traditional Name: 2-benzylsulfonylsuccinic acid Formula: C11H12O6S MolecularWeight: 272.27438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H12O6S/c12-10(13)6-9(11(14)15)18(16,17)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)