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

Systemtic Name: [2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-chromen-5-yl] sulfate Openeye Name: [2-(3,5-dibromo-4-hydroxy-phenyl)-3-methyl-4-oxo-chromen-5-yl] sulfate CAS Name: [2-(3,5-dibromo-4-hydroxyphenyl)-3-methyl-4-oxo-1-benzopyran-5-yl] sulfate IUPAC Name: [2-(3,5-dibromo-4-hydroxyphenyl)-3-methyl-4-oxochromen-5-yl] sulfate Traditional Name: [2-(3,5-dibromo-4-hydroxy-phenyl)-4-keto-3-methyl-chromen-5-yl] sulfate Formula: C16H9Br2O7S- MolecularWeight: 505.11146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C(=CC=C2)OS(=O)(=O)[O-])C3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

CC1=C(OC2=C(C1=O)C(=CC=C2)OS(=O)(=O)[O-])C3=CC(=C(C(=C3)Br)O)Br

InChI

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