2,3,4-trimethylbenzenesulfonate; 2,3,4-tris(2-methylpropyl)benzenesulfonate

Systemtic Name: 2,3,4-trimethylbenzenesulfonate; 2,3,4-tris(2-methylpropyl)benzenesulfonate Openeye Name: 2,3,4-triisobutylbenzenesulfonate; 2,3,4-trimethylbenzenesulfonate CAS Name: 2,3,4-trimethylbenzenesulfonate; 2,3,4-tris(2-methylpropyl)benzenesulfonate IUPAC Name: 2,3,4-trimethylbenzenesulfonate; 2,3,4-tris(2-methylpropyl)benzenesulfonate Traditional Name: 2,3,4-triisobutylbesylate; 2,3,4-trimethylbesylate Formula: C27H40O6S2-2 MolecularWeight: 524.7329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)C.CC(C)CC1=C(C(=C(C=C1)S(=O)(=O)[O-])CC(C)C)CC(C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)[O-])C)C.CC(C)CC1=C(C(=C(C=C1)S(=O)(=O)[O-])CC(C)C)CC(C)C

InChI

InChI=1S/C18H30O3S.C9H12O3S/c1-12(2)9-15-7-8-18(22(19,20)21)17(11-14(5)6)16(15)10-13(3)4;1-6-4-5-9(13(10,11)12)8(3)7(6)2/h7-8,12-14H,9-11H2,1-6H3,(H,19,20,21);4-5H,1-3H3,(H,10,11,12)/p-2