[3-methoxy-4-[2-(4-methoxy-2-oxidanyl-phenyl)ethynyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methoxy-4-[2-(4-methoxy-2-oxidanyl-phenyl)ethynyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(2-hydroxy-4-methoxy-phenyl)ethynyl]-3-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-(2-hydroxy-4-methoxyphenyl)ethynyl]-3-methoxyphenyl] ester IUPAC Name: [4-[2-(2-hydroxy-4-methoxyphenyl)ethynyl]-3-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(2-hydroxy-4-methoxy-phenyl)ethynyl]-3-methoxy-phenyl] ester Formula: C23H20O6S MolecularWeight: 424.4663

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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)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)OC

InChI

InChI=1S/C23H20O6S/c1-16-4-12-21(13-5-16)30(25,26)29-20-11-9-18(23(15-20)28-3)7-6-17-8-10-19(27-2)14-22(17)24/h4-5,8-15,24H,1-3H3