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

Systemtic Name: 3-(2-pentan-2-ylphenyl)benzene-1,2-diolate Openeye Name: 3-[2-(1-methylbutyl)phenyl]benzene-1,2-diolate CAS Name: 3-(2-pentan-2-ylphenyl)benzene-1,2-diolate IUPAC Name: 3-(2-pentan-2-ylphenyl)benzene-1,2-diolate Traditional Name: 3-[2-(1-methylbutyl)phenyl]benzene-1,2-diolate Formula: C17H18O2-2 MolecularWeight: 254.32362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O2/c1-3-7-12(2)13-8-4-5-9-14(13)15-10-6-11-16(18)17(15)19/h4-6,8-12,18-19H,3,7H2,1-2H3/p-2