3-nonan-5-ylbenzene-1,2-diolate

Systemtic Name: 3-nonan-5-ylbenzene-1,2-diolate Openeye Name: 3-(1-butylpentyl)benzene-1,2-diolate CAS Name: 3-nonan-5-ylbenzene-1,2-diolate IUPAC Name: 3-nonan-5-ylbenzene-1,2-diolate Traditional Name: 3-(1-butylpentyl)benzene-1,2-diolate Formula: C15H22O2-2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C1=C(C(=CC=C1)[O-])[O-]

Isomeric SMILES

CCCCC(CCCC)C1=C(C(=CC=C1)[O-])[O-]

InChI

InChI=1S/C15H24O2/c1-3-5-8-12(9-6-4-2)13-10-7-11-14(16)15(13)17/h7,10-12,16-17H,3-6,8-9H2,1-2H3/p-2