phenyl 2-chloranyl-2-methyl-3-oxidanyl-3-phenyl-pentanoate

Systemtic Name: phenyl 2-chloranyl-2-methyl-3-oxidanyl-3-phenyl-pentanoate Openeye Name: phenyl 2-chloro-3-hydroxy-2-methyl-3-phenyl-pentanoate CAS Name: 2-chloro-3-hydroxy-2-methyl-3-phenylpentanoic acid phenyl ester IUPAC Name: phenyl 2-chloro-3-hydroxy-2-methyl-3-phenylpentanoate Traditional Name: 2-chloro-3-hydroxy-2-methyl-3-phenyl-valeric acid phenyl ester Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(C)(C(=O)OC2=CC=CC=C2)Cl)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(C)(C(=O)OC2=CC=CC=C2)Cl)O

InChI

InChI=1S/C18H19ClO3/c1-3-18(21,14-10-6-4-7-11-14)17(2,19)16(20)22-15-12-8-5-9-13-15/h4-13,21H,3H2,1-2H3