[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-nonadecyl)henicosyl] hexanoate

Systemtic Name: [2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-nonadecyl)henicosyl] hexanoate Openeye Name: [2,3-dihydroxy-2-(1-hydroxy-2-oxo-nonadecyl)-4-oxo-henicosyl] hexanoate CAS Name: hexanoic acid [2,3-dihydroxy-2-(1-hydroxy-2-oxononadecyl)-4-oxoheneicosyl] ester IUPAC Name: [2,3-dihydroxy-2-(1-hydroxy-2-oxononadecyl)-4-oxohenicosyl] hexanoate Traditional Name: hexanoic acid [2,3-dihydroxy-2-(1-hydroxy-2-keto-nonadecyl)-4-keto-heneicosyl] ester Formula: C46H88O7 MolecularWeight: 753.18672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(COC(=O)CCCCC)(C(C(=O)CCCCCCCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(COC(=O)CCCCC)(C(C(=O)CCCCCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C46H88O7/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-35-37-41(47)44(50)46(52,40-53-43(49)39-34-9-6-3)45(51)42(48)38-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h44-45,50-52H,4-40H2,1-3H3