[(4R,6S)-9-(furan-3-yl)-2,6-dimethyl-9-oxidanylidene-nonan-4-yl] benzoate

Systemtic Name: [(4R,6S)-9-(furan-3-yl)-2,6-dimethyl-9-oxidanylidene-nonan-4-yl] benzoate Openeye Name: [(1R,3S)-6-(3-furyl)-1-isobutyl-3-methyl-6-oxo-hexyl] benzoate CAS Name: benzoic acid [(4R,6S)-9-(3-furanyl)-2,6-dimethyl-9-oxononan-4-yl] ester IUPAC Name: [(4R,6S)-9-(furan-3-yl)-2,6-dimethyl-9-oxononan-4-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-6-(3-furyl)-1-isobutyl-6-keto-3-methyl-hexyl] ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)CCC(=O)C1=COC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCC(=O)C1=COC=C1)C[C@@H](CC(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O4/c1-16(2)13-20(26-22(24)18-7-5-4-6-8-18)14-17(3)9-10-21(23)19-11-12-25-15-19/h4-8,11-12,15-17,20H,9-10,13-14H2,1-3H3/t17-,20+/m0/s1