3-pentoxybutyl 4-methylbenzenesulfonate

Systemtic Name: 3-pentoxybutyl 4-methylbenzenesulfonate Openeye Name: 3-pentoxybutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-pentoxybutyl ester IUPAC Name: 3-pentoxybutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-amoxybutyl ester Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(C)CCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCOC(C)CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

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