(2-butan-2-ylphenyl) 4-chloranyl-2,5-dimethoxy-benzenesulfonate

Systemtic Name: (2-butan-2-ylphenyl) 4-chloranyl-2,5-dimethoxy-benzenesulfonate Openeye Name: (2-sec-butylphenyl) 4-chloro-2,5-dimethoxy-benzenesulfonate CAS Name: 4-chloro-2,5-dimethoxybenzenesulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 4-chloro-2,5-dimethoxybenzenesulfonate Traditional Name: 4-chloro-2,5-dimethoxy-benzenesulfonic acid (2-sec-butylphenyl) ester Formula: C18H21ClO5S MolecularWeight: 384.87434

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)OC)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClO5S/c1-5-12(2)13-8-6-7-9-15(13)24-25(20,21)18-11-16(22-3)14(19)10-17(18)23-4/h6-12H,5H2,1-4H3