[1-(3-hexadecanoyloxy-4-oxidanyl-5-oxidanylidene-2H-furan-2-yl)-2-oxidanyl-ethyl] 4-oxidanyl-2-(phenylmethyl)benzoate

Systemtic Name: [1-(3-hexadecanoyloxy-4-oxidanyl-5-oxidanylidene-2H-furan-2-yl)-2-oxidanyl-ethyl] 4-oxidanyl-2-(phenylmethyl)benzoate Openeye Name: [1-(3-hexadecanoyloxy-4-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxy-ethyl] 2-benzyl-4-hydroxy-benzoate CAS Name: 4-hydroxy-2-(phenylmethyl)benzoic acid [2-hydroxy-1-[4-hydroxy-5-oxo-3-(1-oxohexadecoxy)-2H-furan-2-yl]ethyl] ester IUPAC Name: [1-(3-hexadecanoyloxy-4-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2-benzyl-4-hydroxybenzoate Traditional Name: 2-benzyl-4-hydroxy-benzoic acid [1-(3-hexadecanoyloxy-4-hydroxy-5-keto-2H-furan-2-yl)-2-hydroxy-ethyl] ester Formula: C36H48O9 MolecularWeight: 624.76092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)OC1C(CO)OC(=O)C2=C(C=C(C=C2)O)CC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)OC1C(CO)OC(=O)C2=C(C=C(C=C2)O)CC3=CC=CC=C3)O

InChI

InChI=1S/C36H48O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-31(39)44-34-32(40)36(42)45-33(34)30(25-37)43-35(41)29-22-21-28(38)24-27(29)23-26-18-15-14-16-19-26/h14-16,18-19,21-22,24,30,33,37-38,40H,2-13,17,20,23,25H2,1H3