3-[(3-bromophenyl)methoxy]-5-methyl-1-oxidanyl-xanthen-9-one

Systemtic Name: 3-[(3-bromophenyl)methoxy]-5-methyl-1-oxidanyl-xanthen-9-one Openeye Name: 3-[(3-bromophenyl)methoxy]-1-hydroxy-5-methyl-xanthen-9-one CAS Name: 3-[(3-bromophenyl)methoxy]-1-hydroxy-5-methyl-9-xanthenone IUPAC Name: 3-[(3-bromophenyl)methoxy]-1-hydroxy-5-methylxanthen-9-one Traditional Name: 3-(3-bromobenzyl)oxy-1-hydroxy-5-methyl-xanthone Formula: C21H15BrO4 MolecularWeight: 411.2454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H15BrO4/c1-12-4-2-7-16-20(24)19-17(23)9-15(10-18(19)26-21(12)16)25-11-13-5-3-6-14(22)8-13/h2-10,23H,11H2,1H3