(4S)-2-butanoyl-3-oxidanyl-4-(3-phenoxyphenyl)cyclohex-2-en-1-one

Systemtic Name: (4S)-2-butanoyl-3-oxidanyl-4-(3-phenoxyphenyl)cyclohex-2-en-1-one Openeye Name: (4S)-2-butanoyl-3-hydroxy-4-(3-phenoxyphenyl)cyclohex-2-en-1-one CAS Name: (4S)-3-hydroxy-2-(1-oxobutyl)-4-(3-phenoxyphenyl)-1-cyclohex-2-enone IUPAC Name: (4S)-2-butanoyl-3-hydroxy-4-(3-phenoxyphenyl)cyclohex-2-en-1-one Traditional Name: (4S)-2-butyryl-3-hydroxy-4-(3-phenoxyphenyl)cyclohex-2-en-1-one Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(CCC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)O

Isomeric SMILES

CCCC(=O)C1=C([C@@H](CCC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C22H22O4/c1-2-7-19(23)21-20(24)13-12-18(22(21)25)15-8-6-11-17(14-15)26-16-9-4-3-5-10-16/h3-6,8-11,14,18,25H,2,7,12-13H2,1H3/t18-/m0/s1