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

Systemtic Name: methyl 3-(2-chloroethyl)-4-(hydroxymethyl)-2-methyl-6-oxidanyl-5-propyl-benzoate Openeye Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-6-methyl-3-propyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-6-methyl-3-propylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-6-methyl-3-propylbenzoate Traditional Name: 5-(2-chloroethyl)-2-hydroxy-6-methyl-4-methylol-3-propyl-benzoic acid methyl ester Formula: C15H21ClO4 MolecularWeight: 300.77784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1CO)CCCl)C)C(=O)OC)O

Isomeric SMILES

CCCC1=C(C(=C(C(=C1CO)CCCl)C)C(=O)OC)O

InChI

InChI=1S/C15H21ClO4/c1-4-5-11-12(8-17)10(6-7-16)9(2)13(14(11)18)15(19)20-3/h17-18H,4-8H2,1-3H3