6-(4-acetamido-2-methoxy-phenoxy)hexyl 4-methylbenzenesulfonate

Systemtic Name: 6-(4-acetamido-2-methoxy-phenoxy)hexyl 4-methylbenzenesulfonate Openeye Name: 6-(4-acetamido-2-methoxy-phenoxy)hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-(4-acetamido-2-methoxyphenoxy)hexyl ester IUPAC Name: 6-(4-acetamido-2-methoxyphenoxy)hexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-(4-acetamido-2-methoxy-phenoxy)hexyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCOC2=C(C=C(C=C2)NC(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCOC2=C(C=C(C=C2)NC(=O)C)OC

InChI

InChI=1S/C22H29NO6S/c1-17-8-11-20(12-9-17)30(25,26)29-15-7-5-4-6-14-28-21-13-10-19(23-18(2)24)16-22(21)27-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,23,24)