9-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 9-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2,6,7-trihydroxy-xanthen-3-one CAS Name: 9-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2,6,7-trihydroxy-3-xanthenone IUPAC Name: 9-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2,6,7-trihydroxyxanthen-3-one Traditional Name: 9-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-2,6,7-trihydroxy-fluorone Formula: C23H15BrO7 MolecularWeight: 483.265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)Br)OCC#C

InChI

InChI=1S/C23H15BrO7/c1-3-4-30-23-14(24)5-11(6-21(23)29-2)22-12-7-15(25)17(27)9-19(12)31-20-10-18(28)16(26)8-13(20)22/h1,5-10,25-27H,4H2,2H3