2-azanyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-2-[3-(5-methyl-2-nitro-phenyl)sulfanyloxypropyl]-3-oxo-octanoic acid CAS Name: 2-amino-2-[3-[(5-methyl-2-nitrophenyl)thio]oxypropyl]-3-oxooctanoic acid IUPAC Name: 2-amino-2-[3-(5-methyl-2-nitrophenyl)sulfanyloxypropyl]-3-oxooctanoic acid Traditional Name: 2-amino-3-keto-2-[3-[(5-methyl-2-nitro-phenyl)thio]oxypropyl]caprylic acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCCOSC1=C(C=CC(=C1)C)[N+](=O)[O-])(C(=O)O)N

Isomeric SMILES

CCCCCC(=O)C(CCCOSC1=C(C=CC(=C1)C)[N+](=O)[O-])(C(=O)O)N

InChI

InChI=1S/C18H26N2O6S/c1-3-4-5-7-16(21)18(19,17(22)23)10-6-11-26-27-15-12-13(2)8-9-14(15)20(24)25/h8-9,12H,3-7,10-11,19H2,1-2H3,(H,22,23)