2-[bis(4-methylphenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[bis(4-methylphenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-(bis-p-tolylmethylsulfonyl)acetic acid CAS Name: 2-[bis(4-methylphenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[bis(4-methylphenyl)methylsulfonyl]acetic acid Traditional Name: 2-(bis-p-tolylmethylsulfonyl)acetic acid Formula: C17H18O4S MolecularWeight: 318.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C17H18O4S/c1-12-3-7-14(8-4-12)17(22(20,21)11-16(18)19)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3,(H,18,19)