4-phenylmethoxybut-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-phenylmethoxybut-2-ynyl 4-methylbenzenesulfonate Openeye Name: 4-benzyloxybut-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-phenylmethoxybut-2-ynyl ester IUPAC Name: 4-phenylmethoxybut-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-benzoxybut-2-ynyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOCC2=CC=CC=C2

InChI

InChI=1S/C18H18O4S/c1-16-9-11-18(12-10-16)23(19,20)22-14-6-5-13-21-15-17-7-3-2-4-8-17/h2-4,7-12H,13-15H2,1H3