sodium (1R)-1-[4-(2-methylpropyl)phenyl]ethanesulfonate

Systemtic Name: sodium (1R)-1-[4-(2-methylpropyl)phenyl]ethanesulfonate Openeye Name: sodium (1R)-1-(4-isobutylphenyl)ethanesulfonate CAS Name: sodium (1R)-1-[4-(2-methylpropyl)phenyl]ethanesulfonate IUPAC Name: sodium (1R)-1-[4-(2-methylpropyl)phenyl]ethanesulfonate Traditional Name: sodium (1R)-1-(4-isobutylphenyl)ethanesulfonate Formula: C12H17NaO3S MolecularWeight: 264.31635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)CC(C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H18O3S.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)16(13,14)15;/h4-7,9-10H,8H2,1-3H3,(H,13,14,15);/q;+1/p-1/t10-;/m1./s1