[2-[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-nonyl)undecanoyl]phenyl] ethanoate

Systemtic Name: [2-[2,3-bis(oxidanyl)-4-oxidanylidene-2-(1-oxidanyl-2-oxidanylidene-nonyl)undecanoyl]phenyl] ethanoate Openeye Name: [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxo-nonyl)-4-oxo-undecanoyl]phenyl] acetate CAS Name: acetic acid [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxononyl)-1,4-dioxoundecyl]phenyl] ester IUPAC Name: [2-[2,3-dihydroxy-2-(1-hydroxy-2-oxononyl)-4-oxoundecanoyl]phenyl] acetate Traditional Name: acetic acid [2-[2,3-dihydroxy-2-(1-hydroxy-2-keto-nonyl)-4-keto-undecanoyl]phenyl] ester Formula: C28H42O8 MolecularWeight: 506.62828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(C(C(C(=O)CCCCCCC)O)(C(=O)C1=CC=CC=C1OC(=O)C)O)O

Isomeric SMILES

CCCCCCCC(=O)C(C(C(C(=O)CCCCCCC)O)(C(=O)C1=CC=CC=C1OC(=O)C)O)O

InChI

InChI=1S/C28H42O8/c1-4-6-8-10-12-17-22(30)26(33)28(35,27(34)23(31)18-13-11-9-7-5-2)25(32)21-16-14-15-19-24(21)36-20(3)29/h14-16,19,26-27,33-35H,4-13,17-18H2,1-3H3