3-[2-ethyl-4,5-bis(oxidanyl)oxolan-3-yl]-5-octanoyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-ethyl-4,5-bis(oxidanyl)oxolan-3-yl]-5-octanoyl-2-oxidanyl-benzoic acid Openeye Name: 3-(2-ethyl-4,5-dihydroxy-tetrahydrofuran-3-yl)-2-hydroxy-5-octanoyl-benzoic acid CAS Name: 3-(2-ethyl-4,5-dihydroxy-3-oxolanyl)-2-hydroxy-5-(1-oxooctyl)benzoic acid IUPAC Name: 3-(2-ethyl-4,5-dihydroxyoxolan-3-yl)-2-hydroxy-5-octanoylbenzoic acid Traditional Name: 5-caprylyl-3-(2-ethyl-4,5-dihydroxy-tetrahydrofuran-3-yl)-2-hydroxy-benzoic acid Formula: C21H30O7 MolecularWeight: 394.4587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC(=C(C(=C1)C2C(OC(C2O)O)CC)O)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)C1=CC(=C(C(=C1)C2C(OC(C2O)O)CC)O)C(=O)O

InChI

InChI=1S/C21H30O7/c1-3-5-6-7-8-9-15(22)12-10-13(18(23)14(11-12)20(25)26)17-16(4-2)28-21(27)19(17)24/h10-11,16-17,19,21,23-24,27H,3-9H2,1-2H3,(H,25,26)