3-[(E)-4-(4-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-4-oxidanyl-2-(4-oxidanylideneheptyl)cyclopentan-1-one

Systemtic Name: 3-[(E)-4-(4-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-4-oxidanyl-2-(4-oxidanylideneheptyl)cyclopentan-1-one Openeye Name: 3-[(E)-4-(4-chlorophenoxy)-3-hydroxy-but-1-enyl]-4-hydroxy-2-(4-oxoheptyl)cyclopentanone CAS Name: 3-[(E)-4-(4-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxy-2-(4-oxoheptyl)-1-cyclopentanone IUPAC Name: 3-[(E)-4-(4-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxy-2-(4-oxoheptyl)cyclopentan-1-one Traditional Name: 3-[(E)-4-(4-chlorophenoxy)-3-hydroxy-but-1-enyl]-4-hydroxy-2-(4-ketoheptyl)cyclopentanone Formula: C22H29ClO5 MolecularWeight: 408.91566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CCCC1C(C(CC1=O)O)C=CC(COC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCCC(=O)CCCC1C(C(CC1=O)O)/C=C/C(COC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C22H29ClO5/c1-2-4-16(24)5-3-6-19-20(22(27)13-21(19)26)12-9-17(25)14-28-18-10-7-15(23)8-11-18/h7-12,17,19-20,22,25,27H,2-6,13-14H2,1H3/b12-9+