4-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]isoindole-1,3-dione

Systemtic Name: 4-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]isoindole-1,3-dione Openeye Name: 4-[2-(3-chlorophenyl)-2-hydroxy-ethyl]isoindoline-1,3-dione CAS Name: 4-[2-(3-chlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione IUPAC Name: 4-[2-(3-chlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione Traditional Name: 4-[2-(3-chlorophenyl)-2-hydroxy-ethyl]isoindoline-1,3-quinone Formula: C16H12ClNO3 MolecularWeight: 301.72438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(CC2=CC=CC3=C2C(=O)NC3=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(CC2=CC=CC3=C2C(=O)NC3=O)O

InChI

InChI=1S/C16H12ClNO3/c17-11-5-1-3-9(7-11)13(19)8-10-4-2-6-12-14(10)16(21)18-15(12)20/h1-7,13,19H,8H2,(H,18,20,21)