2-methylpropyl 4-ethylbenzenesulfonate

Systemtic Name: 2-methylpropyl 4-ethylbenzenesulfonate Openeye Name: isobutyl 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid isobutyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OCC(C)C

InChI

InChI=1S/C12H18O3S/c1-4-11-5-7-12(8-6-11)16(13,14)15-9-10(2)3/h5-8,10H,4,9H2,1-3H3