2-(5-methylhexoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

Systemtic Name: 2-(5-methylhexoxy)-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-(5-methylhexoxy)benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-(5-methylhexoxy)benzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-(5-methylhexoxy)benzenesulfonic acid Traditional Name: 5-benzoyl-4-hydroxy-2-(5-methylhexoxy)besylic acid Formula: C20H24O6S MolecularWeight: 392.46596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)CCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C20H24O6S/c1-14(2)8-6-7-11-26-18-13-17(21)16(12-19(18)27(23,24)25)20(22)15-9-4-3-5-10-15/h3-5,9-10,12-14,21H,6-8,11H2,1-2H3,(H,23,24,25)