[2-[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-heptadecyl)nonadecanoyl]phenyl] ethanoate

Systemtic Name: [2-[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-heptadecyl)nonadecanoyl]phenyl] ethanoate Openeye Name: [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxo-heptadecyl)-4-oxo-nonadecanoyl]phenyl] acetate CAS Name: acetic acid [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxoheptadecyl)-1,4-dioxononadecyl]phenyl] ester IUPAC Name: [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxoheptadecyl)-4-oxononadecanoyl]phenyl] acetate Traditional Name: acetic acid [2-[2,3-dihydroxy-2-(1-hydroxy-2-keto-heptadecyl)-4-keto-nonadecanoyl]phenyl] ester Formula: C44H74O8 MolecularWeight: 731.05356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)C1=CC=CC=C1OC(=O)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)C1=CC=CC=C1OC(=O)C)O)O

InChI

InChI=1S/C44H74O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33-38(46)42(49)44(51,41(48)37-32-30-31-35-40(37)52-36(3)45)43(50)39(47)34-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-32,35,42-43,49-51H,4-29,33-34H2,1-3H3