3-[1-(4-nitrophenyl)propan-2-ylsulfanyl]-2-oxidanylidene-pentanedioate

Systemtic Name: 3-[1-(4-nitrophenyl)propan-2-ylsulfanyl]-2-oxidanylidene-pentanedioate Openeye Name: 3-[1-methyl-2-(4-nitrophenyl)ethyl]sulfanyl-2-oxo-pentanedioate CAS Name: 3-[1-(4-nitrophenyl)propan-2-ylthio]-2-oxopentanedioate IUPAC Name: 3-[1-(4-nitrophenyl)propan-2-ylsulfanyl]-2-oxopentanedioate Traditional Name: 2-keto-3-[[1-methyl-2-(4-nitrophenyl)ethyl]thio]glutarate Formula: C14H13NO7S-2 MolecularWeight: 339.32052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])SC(CC(=O)[O-])C(=O)C(=O)[O-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])SC(CC(=O)[O-])C(=O)C(=O)[O-]

InChI

InChI=1S/C14H15NO7S/c1-8(6-9-2-4-10(5-3-9)15(21)22)23-11(7-12(16)17)13(18)14(19)20/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H,19,20)/p-2