(6-bromanyl-3-oxidanylidene-2-phenyl-phenalen-1-yl) ethanoate

Systemtic Name: (6-bromanyl-3-oxidanylidene-2-phenyl-phenalen-1-yl) ethanoate Openeye Name: (6-bromo-3-oxo-2-phenyl-phenalen-1-yl) acetate CAS Name: acetic acid (6-bromo-3-oxo-2-phenyl-1-phenalenyl) ester IUPAC Name: (6-bromo-3-oxo-2-phenylphenalen-1-yl) acetate Traditional Name: acetic acid (6-bromo-3-keto-2-phenyl-phenalen-1-yl) ester Formula: C21H13BrO3 MolecularWeight: 393.23012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=O)C2=C3C1=CC=CC3=C(C=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=C(C(=O)C2=C3C1=CC=CC3=C(C=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H13BrO3/c1-12(23)25-21-16-9-5-8-14-17(22)11-10-15(19(14)16)20(24)18(21)13-6-3-2-4-7-13/h2-11H,1H3