(2-butan-2-ylphenyl) 3,4-bis(chloranyl)-2-methoxy-benzenesulfonate

Systemtic Name: (2-butan-2-ylphenyl) 3,4-bis(chloranyl)-2-methoxy-benzenesulfonate Openeye Name: (2-sec-butylphenyl) 3,4-dichloro-2-methoxy-benzenesulfonate CAS Name: 3,4-dichloro-2-methoxybenzenesulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 3,4-dichloro-2-methoxybenzenesulfonate Traditional Name: 3,4-dichloro-2-methoxy-benzenesulfonic acid (2-sec-butylphenyl) ester Formula: C17H18Cl2O4S MolecularWeight: 389.29342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C(=C(C=C2)Cl)Cl)OC

InChI

InChI=1S/C17H18Cl2O4S/c1-4-11(2)12-7-5-6-8-14(12)23-24(20,21)15-10-9-13(18)16(19)17(15)22-3/h5-11H,4H2,1-3H3