6-(6-chloranylhexan-3-yl)-3-[cyclopropyl(phenyl)methyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-(6-chloranylhexan-3-yl)-3-[cyclopropyl(phenyl)methyl]-2-oxidanyl-pyran-4-one Openeye Name: 6-(4-chloro-1-ethyl-butyl)-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-pyran-4-one CAS Name: 6-(6-chlorohexan-3-yl)-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-pyranone IUPAC Name: 6-(6-chlorohexan-3-yl)-3-[cyclopropyl(phenyl)methyl]-2-hydroxypyran-4-one Traditional Name: 6-(4-chloro-1-ethyl-butyl)-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-pyran-4-one Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCl)C1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCC(CCCCl)C1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClO3/c1-2-14(9-6-12-22)18-13-17(23)20(21(24)25-18)19(16-10-11-16)15-7-4-3-5-8-15/h3-5,7-8,13-14,16,19,24H,2,6,9-12H2,1H3