[3-bromanyl-2-(3-bromanyl-4-oxidanyl-phenyl)-3-methyl-4-oxidanylidene-2H-chromen-6-yl] sulfate

Systemtic Name: [3-bromanyl-2-(3-bromanyl-4-oxidanyl-phenyl)-3-methyl-4-oxidanylidene-2H-chromen-6-yl] sulfate Openeye Name: [3-bromo-2-(3-bromo-4-hydroxy-phenyl)-3-methyl-4-oxo-chroman-6-yl] sulfate CAS Name: [3-bromo-2-(3-bromo-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl] sulfate IUPAC Name: [3-bromo-2-(3-bromo-4-hydroxyphenyl)-3-methyl-4-oxo-2H-chromen-6-yl] sulfate Traditional Name: [3-bromo-2-(3-bromo-4-hydroxy-phenyl)-4-keto-3-methyl-chroman-6-yl] sulfate Formula: C16H11Br2O7S- MolecularWeight: 507.12734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Br2O7S/c1-16(18)14(20)10-7-9(25-26(21,22)23)3-5-13(10)24-15(16)8-2-4-12(19)11(17)6-8/h2-7,15,19H,1H3,(H,21,22,23)/p-1