[2-[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-tridecyl)pentadecanoyl]phenyl] ethanoate

Systemtic Name: [2-[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-tridecyl)pentadecanoyl]phenyl] ethanoate Openeye Name: [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxo-tridecyl)-4-oxo-pentadecanoyl]phenyl] acetate CAS Name: acetic acid [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxotridecyl)-1,4-dioxopentadecyl]phenyl] ester IUPAC Name: [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxotridecyl)-4-oxopentadecanoyl]phenyl] acetate Traditional Name: acetic acid [2-[2,3-dihydroxy-2-(1-hydroxy-2-keto-tridecyl)-4-keto-pentadecanoyl]phenyl] ester Formula: C36H58O8 MolecularWeight: 618.84092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCC)O)(C(=O)C1=CC=CC=C1OC(=O)C)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCC)O)(C(=O)C1=CC=CC=C1OC(=O)C)O)O

InChI

InChI=1S/C36H58O8/c1-4-6-8-10-12-14-16-18-20-25-30(38)34(41)36(43,33(40)29-24-22-23-27-32(29)44-28(3)37)35(42)31(39)26-21-19-17-15-13-11-9-7-5-2/h22-24,27,34-35,41-43H,4-21,25-26H2,1-3H3