3-(4-methoxyphenyl)sulfonyl-2-methyl-octanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-2-methyl-octanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfonyl-2-methyl-octanoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-2-methyloctanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-2-methyloctanoic acid Traditional Name: 3-(4-methoxyphenyl)sulfonyl-2-methyl-caprylic acid Formula: C16H24O5S MolecularWeight: 328.42376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-4-5-6-7-15(12(2)16(17)18)22(19,20)14-10-8-13(21-3)9-11-14/h8-12,15H,4-7H2,1-3H3,(H,17,18)