[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-chromen-6-yl] phosphate

Systemtic Name: [2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-chromen-6-yl] phosphate Openeye Name: [2-(3,5-dibromo-4-hydroxy-phenyl)-3-methyl-4-oxo-chromen-6-yl] phosphate CAS Name: [2-(3,5-dibromo-4-hydroxyphenyl)-3-methyl-4-oxo-1-benzopyran-6-yl] phosphate IUPAC Name: [2-(3,5-dibromo-4-hydroxyphenyl)-3-methyl-4-oxochromen-6-yl] phosphate Traditional Name: [2-(3,5-dibromo-4-hydroxy-phenyl)-4-keto-3-methyl-chromen-6-yl] phosphate Formula: C16H9Br2O7P-2 MolecularWeight: 504.020221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Br2O7P/c1-7-14(19)10-6-9(25-26(21,22)23)2-3-13(10)24-16(7)8-4-11(17)15(20)12(18)5-8/h2-6,20H,1H3,(H2,21,22,23)/p-2