3-hexan-2-ylbenzene-1,2-diolate

Systemtic Name: 3-hexan-2-ylbenzene-1,2-diolate Openeye Name: 3-(1-methylpentyl)benzene-1,2-diolate CAS Name: 3-hexan-2-ylbenzene-1,2-diolate IUPAC Name: 3-hexan-2-ylbenzene-1,2-diolate Traditional Name: 3-(1-methylpentyl)benzene-1,2-diolate Formula: C12H16O2-2 MolecularWeight: 192.25424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2/c1-3-4-6-9(2)10-7-5-8-11(13)12(10)14/h5,7-9,13-14H,3-4,6H2,1-2H3/p-2