disodium 6-azanyl-2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-5-oxidanylidene-6-(sulfonatomethyl)octanoate

Systemtic Name: disodium 6-azanyl-2-(3-azanyl-2-methyl-3-oxidanylidene-propyl)-5-oxidanylidene-6-(sulfonatomethyl)octanoate Openeye Name: disodium 6-amino-2-(3-amino-2-methyl-3-oxo-propyl)-5-oxo-6-(sulfonatomethyl)octanoate CAS Name: disodium 6-amino-2-(3-amino-2-methyl-3-oxopropyl)-5-oxo-6-(sulfonatomethyl)octanoate IUPAC Name: disodium 6-amino-2-(3-amino-2-methyl-3-oxopropyl)-5-oxo-6-(sulfonatomethyl)octanoate Traditional Name: disodium 6-amino-2-(3-amino-3-keto-2-methyl-propyl)-5-keto-6-(sulfonatomethyl)caprylate Formula: C13H22N2Na2O7S MolecularWeight: 396.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=O)(=O)[O-])(C(=O)CCC(CC(C)C(=O)N)C(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

CCC(CS(=O)(=O)[O-])(C(=O)CCC(CC(C)C(=O)N)C(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C13H24N2O7S.2Na/c1-3-13(15,7-23(20,21)22)10(16)5-4-9(12(18)19)6-8(2)11(14)17;;/h8-9H,3-7,15H2,1-2H3,(H2,14,17)(H,18,19)(H,20,21,22);;/q;2*+1/p-2