(2-ethyl-4-methyl-octyl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-4-methyl-octyl) 4-methylbenzenesulfonate Openeye Name: (2-ethyl-4-methyl-octyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-4-methyloctyl) ester IUPAC Name: (2-ethyl-4-methyloctyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-4-methyl-octyl) ester Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(CC)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCC(C)CC(CC)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H30O3S/c1-5-7-8-16(4)13-17(6-2)14-21-22(19,20)18-11-9-15(3)10-12-18/h9-12,16-17H,5-8,13-14H2,1-4H3