3-(3-chloranylheptan-3-yl)benzene-1,2-diolate

Systemtic Name: 3-(3-chloranylheptan-3-yl)benzene-1,2-diolate Openeye Name: 3-(1-chloro-1-ethyl-pentyl)benzene-1,2-diolate CAS Name: 3-(3-chloroheptan-3-yl)benzene-1,2-diolate IUPAC Name: 3-(3-chloroheptan-3-yl)benzene-1,2-diolate Traditional Name: 3-(1-chloro-1-ethyl-pentyl)benzene-1,2-diolate Formula: C13H17ClO2-2 MolecularWeight: 240.72588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClO2/c1-3-5-9-13(14,4-2)10-7-6-8-11(15)12(10)16/h6-8,15-16H,3-5,9H2,1-2H3/p-2