3-ethyl-2-oxidanyl-5-(2-phenylpropan-2-yl)benzenesulfonic acid

Systemtic Name: 3-ethyl-2-oxidanyl-5-(2-phenylpropan-2-yl)benzenesulfonic acid Openeye Name: 3-ethyl-2-hydroxy-5-(1-methyl-1-phenyl-ethyl)benzenesulfonic acid CAS Name: 3-ethyl-2-hydroxy-5-(2-phenylpropan-2-yl)benzenesulfonic acid IUPAC Name: 3-ethyl-2-hydroxy-5-(2-phenylpropan-2-yl)benzenesulfonic acid Traditional Name: 5-cumyl-3-ethyl-2-hydroxy-besylic acid Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(C)(C)C2=CC=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(C)(C)C2=CC=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C17H20O4S/c1-4-12-10-14(11-15(16(12)18)22(19,20)21)17(2,3)13-8-6-5-7-9-13/h5-11,18H,4H2,1-3H3,(H,19,20,21)