2-[(E,3S,4S)-2,4-dimethyl-3-oxidanyl-hex-1-enyl]-2,7-dimethyl-5-propanoyl-1-benzofuran-3-one

Systemtic Name: 2-[(E,3S,4S)-2,4-dimethyl-3-oxidanyl-hex-1-enyl]-2,7-dimethyl-5-propanoyl-1-benzofuran-3-one Openeye Name: 2-[(E,3S,4S)-3-hydroxy-2,4-dimethyl-hex-1-enyl]-2,7-dimethyl-5-propanoyl-benzofuran-3-one CAS Name: 2-[(E,3S,4S)-3-hydroxy-2,4-dimethylhex-1-enyl]-2,7-dimethyl-5-(1-oxopropyl)-3-benzofuranone IUPAC Name: 2-[(E,3S,4S)-3-hydroxy-2,4-dimethylhex-1-enyl]-2,7-dimethyl-5-propanoyl-1-benzofuran-3-one Traditional Name: 2-[(E,3S,4S)-3-hydroxy-2,4-dimethyl-hex-1-enyl]-2,7-dimethyl-5-propionyl-coumaran-3-one Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=CC1(C(=O)C2=CC(=CC(=C2O1)C)C(=O)CC)C)C)O

Isomeric SMILES

CC[C@H](C)[C@@H](/C(=C/C1(C(=O)C2=CC(=CC(=C2O1)C)C(=O)CC)C)/C)O

InChI

InChI=1S/C21H28O4/c1-7-12(3)18(23)14(5)11-21(6)20(24)16-10-15(17(22)8-2)9-13(4)19(16)25-21/h9-12,18,23H,7-8H2,1-6H3/b14-11+/t12-,18-,21?/m0/s1