3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: 3-chloranyl-2-methyl-6-oxidanyl-5-propan-2-yl-benzenesulfonic acid Openeye Name: 5-chloro-2-hydroxy-3-isopropyl-6-methyl-benzenesulfonic acid CAS Name: 5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonic acid IUPAC Name: 5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzenesulfonic acid Traditional Name: 5-chloro-2-hydroxy-3-isopropyl-6-methyl-besylic acid Formula: C10H13ClO4S MolecularWeight: 264.72582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1S(=O)(=O)O)O)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1S(=O)(=O)O)O)C(C)C)Cl

InChI

InChI=1S/C10H13ClO4S/c1-5(2)7-4-8(11)6(3)10(9(7)12)16(13,14)15/h4-5,12H,1-3H3,(H,13,14,15)