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

Systemtic Name: methyl 5-(2-chloroethyl)-4-(hydroxymethyl)-2-oxidanyl-6-phenyl-3-propyl-benzoate Openeye Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-6-phenyl-3-propyl-benzoate CAS Name: 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-6-phenyl-3-propylbenzoic acid methyl ester IUPAC Name: methyl 5-(2-chloroethyl)-2-hydroxy-4-(hydroxymethyl)-6-phenyl-3-propylbenzoate Traditional Name: 5-(2-chloroethyl)-2-hydroxy-4-methylol-6-phenyl-3-propyl-benzoic acid methyl ester Formula: C20H23ClO4 MolecularWeight: 362.84722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1CO)CCCl)C2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

CCCC1=C(C(=C(C(=C1CO)CCCl)C2=CC=CC=C2)C(=O)OC)O

InChI

InChI=1S/C20H23ClO4/c1-3-7-15-16(12-22)14(10-11-21)17(13-8-5-4-6-9-13)18(19(15)23)20(24)25-2/h4-6,8-9,22-23H,3,7,10-12H2,1-2H3