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

Systemtic Name: 8-oxidanylidene-8-[4-oxidanylidene-4-(8-oxidanyl-8-oxidanylidene-octanoyl)oxy-3-sulfo-butanimidoyl]oxy-octanoic acid Openeye Name: 8-[4-(8-hydroxy-8-oxo-octanoyl)oxy-4-oxo-3-sulfo-butanimidoyl]oxy-8-oxo-octanoic acid CAS Name: 8-[4-(8-hydroxy-1,8-dioxooctoxy)-1-imino-4-oxo-3-sulfobutoxy]-8-oxooctanoic acid IUPAC Name: 8-[4-(8-hydroxy-8-oxooctanoyl)oxy-4-oxo-3-sulfobutanimidoyl]oxy-8-oxooctanoic acid Traditional Name: 8-[4-(8-hydroxy-8-keto-octanoyl)oxy-4-keto-3-sulfo-butanimidoyl]oxy-8-keto-caprylic acid Formula: C20H31NO12S MolecularWeight: 509.52464

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO12S/c21-15(32-18(26)11-7-3-1-5-9-16(22)23)13-14(34(29,30)31)20(28)33-19(27)12-8-4-2-6-10-17(24)25/h14,21H,1-13H2,(H,22,23)(H,24,25)(H,29,30,31)