2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethyl ester IUPAC Name: 2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethyl ester Formula: C26H26O6S MolecularWeight: 466.54604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C(=C2C#C)C3=CC=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C(=C2C#C)C3=CC=C(C=C3)OC)OC)OC

InChI

InChI=1S/C26H26O6S/c1-6-23-20(15-16-32-33(27,28)22-13-7-18(2)8-14-22)17-24(30-4)26(31-5)25(23)19-9-11-21(29-3)12-10-19/h1,7-14,17H,15-16H2,2-5H3