[3-acetyloxy-4-[2-[2-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]ethynyl]phenyl] ethanoate

Systemtic Name: [3-acetyloxy-4-[2-[2-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]ethynyl]phenyl] ethanoate Openeye Name: [3-acetoxy-4-[2-[2-methoxy-4-(p-tolylsulfonyloxy)phenyl]ethynyl]phenyl] acetate CAS Name: acetic acid [3-acetyloxy-4-[2-[2-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]ethynyl]phenyl] ester IUPAC Name: [3-acetyloxy-4-[2-[2-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]ethynyl]phenyl] acetate Traditional Name: acetic acid [3-acetoxy-4-[2-(2-methoxy-4-tosyloxy-phenyl)ethynyl]phenyl] ester Formula: C26H22O8S MolecularWeight: 494.51308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C#CC3=C(C=C(C=C3)OC(=O)C)OC(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C#CC3=C(C=C(C=C3)OC(=O)C)OC(=O)C)OC

InChI

InChI=1S/C26H22O8S/c1-17-5-13-24(14-6-17)35(29,30)34-23-12-10-20(25(16-23)31-4)7-8-21-9-11-22(32-18(2)27)15-26(21)33-19(3)28/h5-6,9-16H,1-4H3