(4-ethynyl-3-methoxy-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-ethynyl-3-methoxy-phenyl) 4-methylbenzenesulfonate Openeye Name: (4-ethynyl-3-methoxy-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-ethynyl-3-methoxyphenyl) ester IUPAC Name: (4-ethynyl-3-methoxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-ethynyl-3-methoxy-phenyl) ester Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C#C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C#C)OC

InChI

InChI=1S/C16H14O4S/c1-4-13-7-8-14(11-16(13)19-3)20-21(17,18)15-9-5-12(2)6-10-15/h1,5-11H,2-3H3