2-[4-(3-methylbutoxy)phenyl]-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(4-isopentyloxyphenyl)-2-oxo-ethanesulfonic acid CAS Name: 2-[4-(3-methylbutoxy)phenyl]-2-oxoethanesulfonic acid IUPAC Name: 2-[4-(3-methylbutoxy)phenyl]-2-oxoethanesulfonic acid Traditional Name: 2-(4-isoamoxyphenyl)-2-keto-ethanesulfonic acid Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)CS(=O)(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)CS(=O)(=O)O

InChI

InChI=1S/C13H18O5S/c1-10(2)7-8-18-12-5-3-11(4-6-12)13(14)9-19(15,16)17/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)