methyl (E)-octadec-9-enoate; 2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: methyl (E)-octadec-9-enoate; 2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: methyl (E)-octadec-9-enoate; 2,3,4,5,6-pentahydroxyhexanal CAS Name: (E)-9-octadecenoic acid methyl ester; 2,3,4,5,6-pentahydroxyhexanal IUPAC Name: methyl (E)-octadec-9-enoate; 2,3,4,5,6-pentahydroxyhexanal Traditional Name: (E)-octadec-9-enoic acid methyl ester; 2,3,4,5,6-pentahydroxyhexanal Formula: C25H48O8 MolecularWeight: 476.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC.C(C(C(C(C(C=O)O)O)O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC.C(C(C(C(C(C=O)O)O)O)O)O

InChI

InChI=1S/C19H36O2.C6H12O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;7-1-3(9)5(11)6(12)4(10)2-8/h10-11H,3-9,12-18H2,1-2H3;1,3-6,8-12H,2H2/b11-10+;