5-azanyl-7-methyl-4-oxidanylidene-3-thionitroso-octanoic acid

Systemtic Name: 5-azanyl-7-methyl-4-oxidanylidene-3-thionitroso-octanoic acid Openeye Name: 5-amino-7-methyl-4-oxo-3-thionitroso-octanoic acid CAS Name: 5-amino-7-methyl-4-oxo-3-thionitrosooctanoic acid IUPAC Name: 5-amino-7-methyl-4-oxo-3-thionitrosooctanoic acid Traditional Name: 5-amino-4-keto-7-methyl-3-thionitroso-caprylic acid Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CC(=O)O)N=S)N

Isomeric SMILES

CC(C)CC(C(=O)C(CC(=O)O)N=S)N

InChI

InChI=1S/C9H16N2O3S/c1-5(2)3-6(10)9(14)7(11-15)4-8(12)13/h5-7H,3-4,10H2,1-2H3,(H,12,13)