3-chloranyl-5-methyl-2-propan-2-yl-phenolate

Systemtic Name: 3-chloranyl-5-methyl-2-propan-2-yl-phenolate Openeye Name: 3-chloro-2-isopropyl-5-methyl-phenolate CAS Name: 3-chloro-5-methyl-2-propan-2-ylphenolate IUPAC Name: 3-chloro-5-methyl-2-propan-2-ylphenolate Traditional Name: 3-chloro-2-isopropyl-5-methyl-phenolate Formula: C10H12ClO- MolecularWeight: 183.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)C(C)C)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)C(C)C)[O-]

InChI

InChI=1S/C10H13ClO/c1-6(2)10-8(11)4-7(3)5-9(10)12/h4-6,12H,1-3H3/p-1