(1-butoxy-3-methyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (1-butoxy-3-methyl-butyl) 4-methylbenzenesulfonate Openeye Name: (1-butoxy-3-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-butoxy-3-methylbutyl) ester IUPAC Name: (1-butoxy-3-methylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-butoxy-3-methyl-butyl) ester Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOC(CC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H26O4S/c1-5-6-11-19-16(12-13(2)3)20-21(17,18)15-9-7-14(4)8-10-15/h7-10,13,16H,5-6,11-12H2,1-4H3