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3-heptan-3-ylbenzene-1,2-diolate

3-heptan-3-ylbenzene-1,2-diolate

Systemtic Name:3-heptan-3-ylbenzene-1,2-diolate
Openeye Name:3-(1-ethylpentyl)benzene-1,2-diolate
CAS Name:3-heptan-3-ylbenzene-1,2-diolate
IUPAC Name:3-heptan-3-ylbenzene-1,2-diolate
Traditional Name:3-(1-ethylpentyl)benzene-1,2-diolate
Formula: C13H18O2-2
MolecularWeight: 206.28082
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H20O2/c1-3-5-7-10(4-2)11-8-6-9-12(14)13(11)15/h6,8-10,14-15H,3-5,7H2,1-2H3/p-2


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