3-methoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 3-methoxypropyl 4-methylbenzenesulfonate Openeye Name: 3-methoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-methoxypropyl ester IUPAC Name: 3-methoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-methoxypropyl ester Formula: C11H16O4S MolecularWeight: 244.30734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O4S/c1-10-4-6-11(7-5-10)16(12,13)15-9-3-8-14-2/h4-7H,3,8-9H2,1-2H3