[(2R)-4-hexadecanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]methyl 3-(phenylcarbonyl)benzoate

Systemtic Name: [(2R)-4-hexadecanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]methyl 3-(phenylcarbonyl)benzoate Openeye Name: [(2R)-4-hexadecanoyl-5-hydroxy-3-oxo-2-furyl]methyl 3-benzoylbenzoate CAS Name: 3-benzoylbenzoic acid [(2R)-5-hydroxy-3-oxo-4-(1-oxohexadecyl)-2-furanyl]methyl ester IUPAC Name: [(2R)-4-hexadecanoyl-5-hydroxy-3-oxofuran-2-yl]methyl 3-benzoylbenzoate Traditional Name: 3-benzoylbenzoic acid [(2R)-4-hexadecanoyl-5-hydroxy-3-keto-2-furyl]methyl ester Formula: C35H44O7 MolecularWeight: 576.71966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C(OC(C1=O)COC(=O)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C(O[C@@H](C1=O)COC(=O)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-29(36)31-33(38)30(42-35(31)40)25-41-34(39)28-22-18-21-27(24-28)32(37)26-19-15-14-16-20-26/h14-16,18-22,24,30,40H,2-13,17,23,25H2,1H3/t30-/m1/s1