2,5-bis(chloranyl)-3,6-diethoxy-4-oxidanyl-4-(2-phenylethynyl)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,5-bis(chloranyl)-3,6-diethoxy-4-oxidanyl-4-(2-phenylethynyl)cyclohexa-2,5-dien-1-one Openeye Name: 2,5-dichloro-3,6-diethoxy-4-hydroxy-4-(2-phenylethynyl)cyclohexa-2,5-dien-1-one CAS Name: 2,5-dichloro-3,6-diethoxy-4-hydroxy-4-(2-phenylethynyl)-1-cyclohexa-2,5-dienone IUPAC Name: 2,5-dichloro-3,6-diethoxy-4-hydroxy-4-(2-phenylethynyl)cyclohexa-2,5-dien-1-one Traditional Name: 2,5-dichloro-3,6-diethoxy-4-hydroxy-4-(2-phenylethynyl)cyclohexa-2,5-dien-1-one Formula: C18H16Cl2O4 MolecularWeight: 367.22324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(C(=C(C1=O)Cl)OCC)(C#CC2=CC=CC=C2)O)Cl

Isomeric SMILES

CCOC1=C(C(C(=C(C1=O)Cl)OCC)(C#CC2=CC=CC=C2)O)Cl

InChI

InChI=1S/C18H16Cl2O4/c1-3-23-15-14(21)13(19)17(24-4-2)18(22,16(15)20)11-10-12-8-6-5-7-9-12/h5-9,22H,3-4H2,1-2H3