2-ethylhexyl 3-ethylbenzenesulfonate

Systemtic Name: 2-ethylhexyl 3-ethylbenzenesulfonate Openeye Name: 2-ethylhexyl 3-ethylbenzenesulfonate CAS Name: 3-ethylbenzenesulfonic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-ethylbenzenesulfonate Traditional Name: 3-ethylbenzenesulfonic acid 2-ethylhexyl ester Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S/c1-4-7-9-15(6-3)13-19-20(17,18)16-11-8-10-14(5-2)12-16/h8,10-12,15H,4-7,9,13H2,1-3H3