3-[(3-bromophenyl)methoxy]-1-oxidanyl-xanthen-9-one

Systemtic Name: 3-[(3-bromophenyl)methoxy]-1-oxidanyl-xanthen-9-one Openeye Name: 3-[(3-bromophenyl)methoxy]-1-hydroxy-xanthen-9-one CAS Name: 3-[(3-bromophenyl)methoxy]-1-hydroxy-9-xanthenone IUPAC Name: 3-[(3-bromophenyl)methoxy]-1-hydroxyxanthen-9-one Traditional Name: 3-(3-bromobenzyl)oxy-1-hydroxy-xanthone Formula: C20H13BrO4 MolecularWeight: 397.21882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC(=CC=C4)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC(=CC=C4)Br)O

InChI

InChI=1S/C20H13BrO4/c21-13-5-3-4-12(8-13)11-24-14-9-16(22)19-18(10-14)25-17-7-2-1-6-15(17)20(19)23/h1-10,22H,11H2