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

Systemtic Name: methyl 5-(2-chloroethyl)-3-ethyl-4-(hydroxymethyl)-2-oxidanyl-6-phenyl-benzoate Openeye Name: methyl 5-(2-chloroethyl)-3-ethyl-2-hydroxy-4-(hydroxymethyl)-6-phenyl-benzoate CAS Name: 5-(2-chloroethyl)-3-ethyl-2-hydroxy-4-(hydroxymethyl)-6-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-3-ethyl-2-hydroxy-4-(hydroxymethyl)-6-phenylbenzoate Traditional Name: 5-(2-chloroethyl)-3-ethyl-2-hydroxy-4-methylol-6-phenyl-benzoic acid methyl ester Formula: C19H21ClO4 MolecularWeight: 348.82064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1CO)CCCl)C2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CCC1=C(C(=C(C(=C1CO)CCCl)C2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C19H21ClO4/c1-3-13-15(11-21)14(9-10-20)16(12-7-5-4-6-8-12)17(18(13)22)19(23)24-2/h4-8,21-22H,3,9-11H2,1-2H3