[5-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-2-(3-methylbut-2-enoylamino)phenyl] methanesulfonate

Systemtic Name: [5-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-oxidanyl-phenyl]-2-(3-methylbut-2-enoylamino)phenyl] methanesulfonate Openeye Name: [5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxy-phenyl]-2-(3-methylbut-2-enoylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-[(3-methyl-1-oxobut-2-enyl)amino]phenyl] ester IUPAC Name: [5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(3-methylbut-2-enoylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxy-phenyl]-2-(3-methylbut-2-enoylamino)phenyl] ester Formula: C26H27NO8S MolecularWeight: 513.55948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C26H27NO8S/c1-15(2)12-23(29)27-20-11-8-17(13-21(20)35-36(5,31)32)24-22(33-3)14-19(26(34-4)25(24)30)16-6-9-18(28)10-7-16/h6-14,28,30H,1-5H3,(H,27,29)