[6-methoxy-4,5-bis(oxidanyl)-3-sulfooxy-oxan-2-yl]methyl dodecanoate

Systemtic Name: [6-methoxy-4,5-bis(oxidanyl)-3-sulfooxy-oxan-2-yl]methyl dodecanoate Openeye Name: (4,5-dihydroxy-6-methoxy-3-sulfooxy-tetrahydropyran-2-yl)methyl dodecanoate CAS Name: dodecanoic acid (4,5-dihydroxy-6-methoxy-3-sulfooxy-2-oxanyl)methyl ester IUPAC Name: (4,5-dihydroxy-6-methoxy-3-sulfooxyoxan-2-yl)methyl dodecanoate Traditional Name: lauric acid (4,5-dihydroxy-6-methoxy-3-sulfoxy-tetrahydropyran-2-yl)methyl ester Formula: C19H36O10S MolecularWeight: 456.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)O)O)OS(=O)(=O)O

InChI

InChI=1S/C19H36O10S/c1-3-4-5-6-7-8-9-10-11-12-15(20)27-13-14-18(29-30(23,24)25)16(21)17(22)19(26-2)28-14/h14,16-19,21-22H,3-13H2,1-2H3,(H,23,24,25)