2,5-bis(chloranyl)-4-oxidanyl-4-(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,5-bis(chloranyl)-4-oxidanyl-4-(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-dien-1-one Openeye Name: 4-(3-benzyloxyprop-1-ynyl)-2,5-dichloro-4-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 2,5-dichloro-4-hydroxy-4-(3-phenylmethoxyprop-1-ynyl)-1-cyclohexa-2,5-dienone IUPAC Name: 2,5-dichloro-4-hydroxy-4-(3-phenylmethoxyprop-1-ynyl)cyclohexa-2,5-dien-1-one Traditional Name: 4-(3-benzoxyprop-1-ynyl)-2,5-dichloro-4-hydroxy-cyclohexa-2,5-dien-1-one Formula: C16H12Cl2O3 MolecularWeight: 323.17068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC#CC2(C=C(C(=O)C=C2Cl)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)COCC#CC2(C=C(C(=O)C=C2Cl)Cl)O

InChI

InChI=1S/C16H12Cl2O3/c17-13-10-16(20,15(18)9-14(13)19)7-4-8-21-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,8,11H2