4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[1-[(5,6-dimethoxybenzothiophen-2-yl)methyl]-2-hydroxy-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[1-[(5,6-dimethoxybenzothiophen-2-yl)methyl]-2-hydroxy-2-keto-1-methyl-ethyl]benzoic acid Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC2=CC(=C(C=C2S1)OC)OC)(C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H20O6S/c1-21(20(24)25,14-6-4-12(5-7-14)19(22)23)11-15-8-13-9-16(26-2)17(27-3)10-18(13)28-15/h4-10H,11H2,1-3H3,(H,22,23)(H,24,25)