[2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl)ethyl] dodecanoate

Systemtic Name: [2-oxidanyl-2-(5-oxidanyl-3-oxidanylidene-4-sulfooxy-furan-2-yl)ethyl] dodecanoate Openeye Name: [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxy-2-furyl)ethyl] dodecanoate CAS Name: dodecanoic acid [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxy-2-furanyl)ethyl] ester IUPAC Name: [2-hydroxy-2-(5-hydroxy-3-oxo-4-sulfooxyfuran-2-yl)ethyl] dodecanoate Traditional Name: lauric acid [2-hydroxy-2-(5-hydroxy-3-keto-4-sulfoxy-2-furyl)ethyl] ester Formula: C18H30O10S MolecularWeight: 438.4898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OS(=O)(=O)O)O

InChI

InChI=1S/C18H30O10S/c1-2-3-4-5-6-7-8-9-10-11-14(20)26-12-13(19)16-15(21)17(18(22)27-16)28-29(23,24)25/h13,16,19,22H,2-12H2,1H3,(H,23,24,25)