6-[2-[(2,4-dimethoxy-5-oxidanyl-phenyl)-(4-methoxyphenyl)methyl]phenyl]hex-5-ynoic acid

Systemtic Name: 6-[2-[(2,4-dimethoxy-5-oxidanyl-phenyl)-(4-methoxyphenyl)methyl]phenyl]hex-5-ynoic acid Openeye Name: 6-[2-[(5-hydroxy-2,4-dimethoxy-phenyl)-(4-methoxyphenyl)methyl]phenyl]hex-5-ynoic acid CAS Name: 6-[2-[(5-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]phenyl]-5-hexynoic acid IUPAC Name: 6-[2-[(5-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]phenyl]hex-5-ynoic acid Traditional Name: 6-[2-[(5-hydroxy-2,4-dimethoxy-phenyl)-(4-methoxyphenyl)methyl]phenyl]hex-5-ynoic acid Formula: C28H28O6 MolecularWeight: 460.51832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2C#CCCCC(=O)O)C3=CC(=C(C=C3OC)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2C#CCCCC(=O)O)C3=CC(=C(C=C3OC)OC)O

InChI

InChI=1S/C28H28O6/c1-32-21-15-13-20(14-16-21)28(23-17-24(29)26(34-3)18-25(23)33-2)22-11-8-7-10-19(22)9-5-4-6-12-27(30)31/h7-8,10-11,13-18,28-29H,4,6,12H2,1-3H3,(H,30,31)