5-methoxypentyl 4-methylbenzenesulfonate

Systemtic Name: 5-methoxypentyl 4-methylbenzenesulfonate Openeye Name: 5-methoxypentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-methoxypentyl ester IUPAC Name: 5-methoxypentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-methoxypentyl ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCOC

InChI

InChI=1S/C13H20O4S/c1-12-6-8-13(9-7-12)18(14,15)17-11-5-3-4-10-16-2/h6-9H,3-5,10-11H2,1-2H3