3-pentan-3-ylbenzene-1,2-diolate

Systemtic Name: 3-pentan-3-ylbenzene-1,2-diolate Openeye Name: 3-(1-ethylpropyl)benzene-1,2-diolate CAS Name: 3-pentan-3-ylbenzene-1,2-diolate IUPAC Name: 3-pentan-3-ylbenzene-1,2-diolate Traditional Name: 3-(1-ethylpropyl)benzene-1,2-diolate Formula: C11H14O2-2 MolecularWeight: 178.22766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(C(=CC=C1)[O-])[O-]

Isomeric SMILES

CCC(CC)C1=C(C(=CC=C1)[O-])[O-]

InChI

InChI=1S/C11H16O2/c1-3-8(4-2)9-6-5-7-10(12)11(9)13/h5-8,12-13H,3-4H2,1-2H3/p-2