[1-(octylamino)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] benzoate

Systemtic Name: [1-(octylamino)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl] benzoate Openeye Name: [2,3,4,5-tetrahydroxy-1-(octylcarbamoyl)pentyl] benzoate CAS Name: benzoic acid [3,4,5,6-tetrahydroxy-1-(octylamino)-1-oxohexan-2-yl] ester IUPAC Name: [3,4,5,6-tetrahydroxy-1-(octylamino)-1-oxohexan-2-yl] benzoate Traditional Name: benzoic acid [2,3,4,5-tetrahydroxy-1-(octylcarbamoyl)pentyl] ester Formula: C21H33NO7 MolecularWeight: 411.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C21H33NO7/c1-2-3-4-5-6-10-13-22-20(27)19(18(26)17(25)16(24)14-23)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)