benzene-1,3,5-triol; 4-[4-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-4-oxidanylidene-butanimidoyl]oxy-4-oxidanylidene-butanoate

Systemtic Name: benzene-1,3,5-triol; 4-[4-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-4-oxidanylidene-butanimidoyl]oxy-4-oxidanylidene-butanoate Openeye Name: benzene-1,3,5-triol; 4-[4-(4-oxido-4-oxo-butanoyl)oxy-4-oxo-butanimidoyl]oxy-4-oxo-butanoate CAS Name: benzene-1,3,5-triol; 4-[1-imino-4-(4-oxido-1,4-dioxobutoxy)-4-oxobutoxy]-4-oxobutanoate IUPAC Name: benzene-1,3,5-triol; 4-[4-(4-oxido-4-oxobutanoyl)oxy-4-oxobutanimidoyl]oxy-4-oxobutanoate Traditional Name: 4-keto-4-[4-keto-4-(4-keto-4-oxido-butanoyl)oxy-butanimidoyl]oxy-butyrate; phloroglucinol Formula: C18H19NO12-2 MolecularWeight: 441.34296

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1O)O)O.C(CC(=O)OC(=O)CCC(=O)[O-])C(=N)OC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1O)O)O.C(CC(=O)OC(=O)CCC(=O)[O-])C(=N)OC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H15NO9.C6H6O3/c13-7(21-10(18)5-2-8(14)15)1-4-11(19)22-12(20)6-3-9(16)17;7-4-1-5(8)3-6(9)2-4/h13H,1-6H2,(H,14,15)(H,16,17);1-3,7-9H/p-2