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

Systemtic Name: 3-(2-heptan-3-ylphenyl)benzene-1,2-diolate Openeye Name: 3-[2-(1-ethylpentyl)phenyl]benzene-1,2-diolate CAS Name: 3-(2-heptan-3-ylphenyl)benzene-1,2-diolate IUPAC Name: 3-(2-heptan-3-ylphenyl)benzene-1,2-diolate Traditional Name: 3-[2-(1-ethylpentyl)phenyl]benzene-1,2-diolate Formula: C19H22O2-2 MolecularWeight: 282.37678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O2/c1-3-5-9-14(4-2)15-10-6-7-11-16(15)17-12-8-13-18(20)19(17)21/h6-8,10-14,20-21H,3-5,9H2,1-2H3/p-2