2-butyl-3-oxidanyl-4-oxidanylidene-phenalen-1-olate

Systemtic Name: 2-butyl-3-oxidanyl-4-oxidanylidene-phenalen-1-olate Openeye Name: 2-butyl-3-hydroxy-4-oxo-phenalen-1-olate CAS Name: 2-butyl-3-hydroxy-4-oxo-1-phenalenolate IUPAC Name: 2-butyl-3-hydroxy-4-oxophenalen-1-olate Traditional Name: 2-butyl-3-hydroxy-4-keto-phenalen-1-olate Formula: C17H15O3- MolecularWeight: 267.2992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C3C(=CC=C2)C=CC(=O)C3=C1O)[O-]

Isomeric SMILES

CCCCC1=C(C2=C3C(=CC=C2)C=CC(=O)C3=C1O)[O-]

InChI

InChI=1S/C17H16O3/c1-2-3-6-12-16(19)11-7-4-5-10-8-9-13(18)15(14(10)11)17(12)20/h4-5,7-9,19-20H,2-3,6H2,1H3/p-1