[6-(octylamino)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexyl] benzoate

Systemtic Name: [6-(octylamino)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexyl] benzoate Openeye Name: [2,3,4,5-tetrahydroxy-6-(octylamino)-6-oxo-hexyl] benzoate CAS Name: benzoic acid [2,3,4,5-tetrahydroxy-6-(octylamino)-6-oxohexyl] ester IUPAC Name: [2,3,4,5-tetrahydroxy-6-(octylamino)-6-oxohexyl] benzoate Traditional Name: benzoic acid [2,3,4,5-tetrahydroxy-6-keto-6-(octylamino)hexyl] ester Formula: C21H33NO7 MolecularWeight: 411.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(C(C(C(COC(=O)C1=CC=CC=C1)O)O)O)O

Isomeric SMILES

CCCCCCCCNC(=O)C(C(C(C(COC(=O)C1=CC=CC=C1)O)O)O)O

InChI

InChI=1S/C21H33NO7/c1-2-3-4-5-6-10-13-22-20(27)19(26)18(25)17(24)16(23)14-29-21(28)15-11-8-7-9-12-15/h7-9,11-12,16-19,23-26H,2-6,10,13-14H2,1H3,(H,22,27)