[4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenyl] hydrogen sulfate

Systemtic Name: [4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenyl] hydrogen sulfate Openeye Name: [4-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]phenyl] ester Formula: C17H15NO6S2 MolecularWeight: 393.4341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)OS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)OS(=O)(=O)O)OC

InChI

InChI=1S/C17H15NO6S2/c1-22-15-8-5-12(9-16(15)23-2)17-18-14(10-25-17)11-3-6-13(7-4-11)24-26(19,20)21/h3-10H,1-2H3,(H,19,20,21)