2-methoxyethyl 4-butan-2-ylbenzenesulfonate

Systemtic Name: 2-methoxyethyl 4-butan-2-ylbenzenesulfonate Openeye Name: 2-methoxyethyl 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid 2-methoxyethyl ester Formula: C13H20O4S MolecularWeight: 272.3605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCCOC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCCOC

InChI

InChI=1S/C13H20O4S/c1-4-11(2)12-5-7-13(8-6-12)18(14,15)17-10-9-16-3/h5-8,11H,4,9-10H2,1-3H3