[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-chromen-8-yl] hydrogen sulfate

Systemtic Name: [2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-chromen-8-yl] hydrogen sulfate Openeye Name: [2-(3,5-dibromo-4-hydroxy-phenyl)-3-methyl-4-oxo-chromen-8-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,5-dibromo-4-hydroxyphenyl)-3-methyl-4-oxo-1-benzopyran-8-yl] ester IUPAC Name: [2-(3,5-dibromo-4-hydroxyphenyl)-3-methyl-4-oxochromen-8-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,5-dibromo-4-hydroxy-phenyl)-4-keto-3-methyl-chromen-8-yl] ester Formula: C16H10Br2O7S MolecularWeight: 506.1194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2OS(=O)(=O)O)C3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2OS(=O)(=O)O)C3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C16H10Br2O7S/c1-7-13(19)9-3-2-4-12(25-26(21,22)23)16(9)24-15(7)8-5-10(17)14(20)11(18)6-8/h2-6,20H,1H3,(H,21,22,23)