6-(3-methyl-2-sulfo-phenyl)hexanoic acid

Systemtic Name: 6-(3-methyl-2-sulfo-phenyl)hexanoic acid Openeye Name: 6-(3-methyl-2-sulfo-phenyl)hexanoic acid CAS Name: 6-(3-methyl-2-sulfophenyl)hexanoic acid IUPAC Name: 6-(3-methyl-2-sulfophenyl)hexanoic acid Traditional Name: 6-(3-methyl-2-sulfo-phenyl)hexanoic acid Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-10-6-5-8-11(13(10)19(16,17)18)7-3-2-4-9-12(14)15/h5-6,8H,2-4,7,9H2,1H3,(H,14,15)(H,16,17,18)