9-(5-bromanyl-2-prop-2-enoxy-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-(5-bromanyl-2-prop-2-enoxy-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 9-(2-allyloxy-5-bromo-phenyl)-2,6,7-trihydroxy-xanthen-3-one CAS Name: 9-(5-bromo-2-prop-2-enoxyphenyl)-2,6,7-trihydroxy-3-xanthenone IUPAC Name: 9-(5-bromo-2-prop-2-enoxyphenyl)-2,6,7-trihydroxyxanthen-3-one Traditional Name: 9-(2-allyloxy-5-bromo-phenyl)-2,6,7-trihydroxy-fluorone Formula: C22H15BrO6 MolecularWeight: 455.2549

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Br)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Br)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

InChI

InChI=1S/C22H15BrO6/c1-2-5-28-19-4-3-11(23)6-12(19)22-13-7-15(24)17(26)9-20(13)29-21-10-18(27)16(25)8-14(21)22/h2-4,6-10,24-26H,1,5H2