2-ethylhexyl 4-methylbenzenesulfonate; phenyl 4-methylbenzenesulfonate

Systemtic Name: 2-ethylhexyl 4-methylbenzenesulfonate; phenyl 4-methylbenzenesulfonate Openeye Name: 2-ethylhexyl 4-methylbenzenesulfonate; phenyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-ethylhexyl ester; 4-methylbenzenesulfonic acid phenyl ester IUPAC Name: 2-ethylhexyl 4-methylbenzenesulfonate; phenyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-ethylhexyl ester; 4-methylbenzenesulfonic acid phenyl ester Formula: C28H36O6S2 MolecularWeight: 532.71184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COS(=O)(=O)C1=CC=C(C=C1)C.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COS(=O)(=O)C1=CC=C(C=C1)C.CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H24O3S.C13H12O3S/c1-4-6-7-14(5-2)12-18-19(16,17)15-10-8-13(3)9-11-15;1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h8-11,14H,4-7,12H2,1-3H3;2-10H,1H3