hexadecanoate; octadecanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: hexadecanoate; octadecanoate; 2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: hexadecanoate; octadecanoate; 2,3,4,5,6-pentahydroxyhexanal CAS Name: hexadecanoate; octadecanoate; 2,3,4,5,6-pentahydroxyhexanal IUPAC Name: hexadecanoate; octadecanoate; 2,3,4,5,6-pentahydroxyhexanal Traditional Name: palmitate; 2,3,4,5,6-pentahydroxyhexanal; stearate Formula: C46H90O16-2 MolecularWeight: 899.1972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(C=O)O)O)O)O)O

InChI

InChI=1S/C18H36O2.C16H32O2.2C6H12O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*7-1-3(9)5(11)6(12)4(10)2-8/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);2*1,3-6,8-12H,2H2/p-2