4-phenoxybutan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 4-phenoxybutan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-3-phenoxy-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-phenoxybutan-2-yl ester IUPAC Name: 4-phenoxybutan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-3-phenoxy-propyl) ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCOC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CCOC2=CC=CC=C2

InChI

InChI=1S/C17H20O4S/c1-14-8-10-17(11-9-14)22(18,19)21-15(2)12-13-20-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3