4-(3,4-dimethyl-1,2-dioxetan-3-yl)-2-propyl-phenolate

Systemtic Name: 4-(3,4-dimethyl-1,2-dioxetan-3-yl)-2-propyl-phenolate Openeye Name: 4-(3,4-dimethyldioxetan-3-yl)-2-propyl-phenolate CAS Name: 4-(3,4-dimethyl-3-dioxetanyl)-2-propylphenolate IUPAC Name: 4-(3,4-dimethyldioxetan-3-yl)-2-propylphenolate Traditional Name: 4-(3,4-dimethyldioxetan-3-yl)-2-propyl-phenolate Formula: C13H17O3- MolecularWeight: 221.27228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2(C(OO2)C)C)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2(C(OO2)C)C)[O-]

InChI

InChI=1S/C13H18O3/c1-4-5-10-8-11(6-7-12(10)14)13(3)9(2)15-16-13/h6-9,14H,4-5H2,1-3H3/p-1