2-ethylhexyl 3-tert-butylbenzenesulfonate

Systemtic Name: 2-ethylhexyl 3-tert-butylbenzenesulfonate Openeye Name: 2-ethylhexyl 3-tert-butylbenzenesulfonate CAS Name: 3-tert-butylbenzenesulfonic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-tert-butylbenzenesulfonate Traditional Name: 3-tert-butylbenzenesulfonic acid 2-ethylhexyl ester Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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