8-oxidanylidene-8-[4-oxidanylidene-4-(8-oxidanyl-8-oxidanylidene-octanoyl)oxy-3,3-disulfo-butanimidoyl]oxy-octanoic acid

Systemtic Name: 8-oxidanylidene-8-[4-oxidanylidene-4-(8-oxidanyl-8-oxidanylidene-octanoyl)oxy-3,3-disulfo-butanimidoyl]oxy-octanoic acid Openeye Name: 8-[4-(8-hydroxy-8-oxo-octanoyl)oxy-4-oxo-3,3-disulfo-butanimidoyl]oxy-8-oxo-octanoic acid CAS Name: 8-[4-(8-hydroxy-1,8-dioxooctoxy)-1-imino-4-oxo-3,3-disulfobutoxy]-8-oxooctanoic acid IUPAC Name: 8-[4-(8-hydroxy-8-oxooctanoyl)oxy-4-oxo-3,3-disulfobutanimidoyl]oxy-8-oxooctanoic acid Traditional Name: 8-[4-(8-hydroxy-8-keto-octanoyl)oxy-4-keto-3,3-disulfo-butanimidoyl]oxy-8-keto-caprylic acid Formula: C20H31NO15S2 MolecularWeight: 589.58784

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)OC(=N)CC(C(=O)OC(=O)CCCCCCC(=O)O)(S(=O)(=O)O)S(=O)(=O)O)CCC(=O)O

Isomeric SMILES

C(CCCC(=O)OC(=N)CC(C(=O)OC(=O)CCCCCCC(=O)O)(S(=O)(=O)O)S(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C20H31NO15S2/c21-14(35-17(26)11-7-3-1-5-9-15(22)23)13-20(37(29,30)31,38(32,33)34)19(28)36-18(27)12-8-4-2-6-10-16(24)25/h21H,1-13H2,(H,22,23)(H,24,25)(H,29,30,31)(H,32,33,34)