5-[2-(chloromethyl)-2-methyl-3-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 5-[2-(chloromethyl)-2-methyl-3-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 5-[2-(chloromethyl)-3-hydroxy-2-methyl-propoxy]-4-oxo-chromene-2-carboxylic acid CAS Name: 5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 5-[2-(chloromethyl)-3-hydroxy-2-methylpropoxy]-4-oxochromene-2-carboxylic acid Traditional Name: 5-[2-(chloromethyl)-3-hydroxy-2-methyl-propoxy]-4-keto-chromene-2-carboxylic acid Formula: C15H15ClO6 MolecularWeight: 326.729

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O)CCl

Isomeric SMILES

CC(CO)(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O)CCl

InChI

InChI=1S/C15H15ClO6/c1-15(6-16,7-17)8-21-10-3-2-4-11-13(10)9(18)5-12(22-11)14(19)20/h2-5,17H,6-8H2,1H3,(H,19,20)