3-(2-hexan-2-ylphenyl)benzene-1,2-diolate

Systemtic Name: 3-(2-hexan-2-ylphenyl)benzene-1,2-diolate Openeye Name: 3-[2-(1-methylpentyl)phenyl]benzene-1,2-diolate CAS Name: 3-(2-hexan-2-ylphenyl)benzene-1,2-diolate IUPAC Name: 3-(2-hexan-2-ylphenyl)benzene-1,2-diolate Traditional Name: 3-[2-(1-methylpentyl)phenyl]benzene-1,2-diolate Formula: C18H20O2-2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC=CC=C1C2=C(C(=CC=C2)[O-])[O-]

Isomeric SMILES

CCCCC(C)C1=CC=CC=C1C2=C(C(=CC=C2)[O-])[O-]

InChI

InChI=1S/C18H22O2/c1-3-4-8-13(2)14-9-5-6-10-15(14)16-11-7-12-17(19)18(16)20/h5-7,9-13,19-20H,3-4,8H2,1-2H3/p-2