4-[3-bromanyl-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-pyridin-1-yl]oxysulfonylbenzoic acid

Systemtic Name: 4-[3-bromanyl-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-pyridin-1-yl]oxysulfonylbenzoic acid Openeye Name: 4-[[3-bromo-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1-pyridyl]oxysulfonyl]benzoic acid CAS Name: 4-[[3-bromo-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1-pyridinyl]oxysulfonyl]benzoic acid IUPAC Name: 4-[3-bromo-6-(3,4-dimethoxyphenyl)-4-methyl-2-oxopyridin-1-yl]oxysulfonylbenzoic acid Traditional Name: 4-[[3-bromo-6-(3,4-dimethoxyphenyl)-2-keto-4-methyl-1-pyridyl]oxysulfonyl]benzoic acid Formula: C21H18BrNO8S MolecularWeight: 524.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1)C2=CC(=C(C=C2)OC)OC)OS(=O)(=O)C3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=C1)C2=CC(=C(C=C2)OC)OC)OS(=O)(=O)C3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C21H18BrNO8S/c1-12-10-16(14-6-9-17(29-2)18(11-14)30-3)23(20(24)19(12)22)31-32(27,28)15-7-4-13(5-8-15)21(25)26/h4-11H,1-3H3,(H,25,26)