2-methylpropyl 3-(2-chloroethyl)-4-(hydroxymethyl)-6-oxidanyl-2-phenyl-benzoate

Systemtic Name: 2-methylpropyl 3-(2-chloroethyl)-4-(hydroxymethyl)-6-oxidanyl-2-phenyl-benzoate Openeye Name: isobutyl 3-(2-chloroethyl)-6-hydroxy-4-(hydroxymethyl)-2-phenyl-benzoate CAS Name: 3-(2-chloroethyl)-6-hydroxy-4-(hydroxymethyl)-2-phenylbenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chloroethyl)-6-hydroxy-4-(hydroxymethyl)-2-phenylbenzoate Traditional Name: 3-(2-chloroethyl)-6-hydroxy-4-methylol-2-phenyl-benzoic acid isobutyl ester Formula: C20H23ClO4 MolecularWeight: 362.84722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C=C(C(=C1C2=CC=CC=C2)CCCl)CO)O

Isomeric SMILES

CC(C)COC(=O)C1=C(C=C(C(=C1C2=CC=CC=C2)CCCl)CO)O

InChI

InChI=1S/C20H23ClO4/c1-13(2)12-25-20(24)19-17(23)10-15(11-22)16(8-9-21)18(19)14-6-4-3-5-7-14/h3-7,10,13,22-23H,8-9,11-12H2,1-2H3