6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-[4-oxidanidyl-2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]oxy-propoxy]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-[4-oxidanidyl-2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]oxy-propoxy]-6-oxidanylidene-hexanoate Openeye Name: 6-[2-[(2,3-dihydroxy-4-oxido-4-oxo-butanoyl)oxymethyl]-2-(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxo-hexanoate CAS Name: 6-[2-[(2,3-dihydroxy-4-oxido-1,4-dioxobutoxy)methyl]-2-(hydroxymethyl)-3-(1-oxooctadecoxy)propoxy]-6-oxohexanoate IUPAC Name: 6-[2-[(2,3-dihydroxy-4-oxido-4-oxobutanoyl)oxymethyl]-2-(hydroxymethyl)-3-octadecanoyloxypropoxy]-6-oxohexanoate Traditional Name: 6-[2-[(2,3-dihydroxy-4-keto-4-oxido-butanoyl)oxymethyl]-2-methylol-3-stearoyloxy-propoxy]-6-keto-hexanoate Formula: C33H56O13-2 MolecularWeight: 660.78994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)[O-])COC(=O)C(C(C(=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)[O-])COC(=O)C(C(C(=O)[O-])O)O

InChI

InChI=1S/C33H58O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(37)44-23-33(22-34,24-45-28(38)21-18-17-19-26(35)36)25-46-32(43)30(40)29(39)31(41)42/h29-30,34,39-40H,2-25H2,1H3,(H,35,36)(H,41,42)/p-2