1-pentoxyheptyl 4-methylbenzenesulfonate

Systemtic Name: 1-pentoxyheptyl 4-methylbenzenesulfonate Openeye Name: 1-pentoxyheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-pentoxyheptyl ester IUPAC Name: 1-pentoxyheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-amoxyheptyl ester Formula: C19H32O4S MolecularWeight: 356.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(OCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCC(OCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H32O4S/c1-4-6-8-9-11-19(22-16-10-7-5-2)23-24(20,21)18-14-12-17(3)13-15-18/h12-15,19H,4-11,16H2,1-3H3