methyl 3-(2-chloroethyl)-4-(hydroxymethyl)-2,5-dimethyl-6-oxidanyl-benzoate

Systemtic Name: methyl 3-(2-chloroethyl)-4-(hydroxymethyl)-2,5-dimethyl-6-oxidanyl-benzoate Openeye Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-3,6-dimethyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-3,6-dimethylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-3,6-dimethylbenzoate Traditional Name: 5-(2-chloroethyl)-2-hydroxy-3,6-dimethyl-4-methylol-benzoic acid methyl ester Formula: C13H17ClO4 MolecularWeight: 272.72468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CCCl)CO)C)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1CCCl)CO)C)O)C(=O)OC

InChI

InChI=1S/C13H17ClO4/c1-7-9(4-5-14)10(6-15)8(2)12(16)11(7)13(17)18-3/h15-16H,4-6H2,1-3H3