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

Systemtic Name: 3-[1-(4-nitrophenyl)propan-2-ylsulfanyl]-2-oxidanylidene-pentanedioic acid Openeye Name: 3-[1-methyl-2-(4-nitrophenyl)ethyl]sulfanyl-2-oxo-pentanedioic acid CAS Name: 3-[1-(4-nitrophenyl)propan-2-ylthio]-2-oxopentanedioic acid IUPAC Name: 3-[1-(4-nitrophenyl)propan-2-ylsulfanyl]-2-oxopentanedioic acid Traditional Name: 2-keto-3-[[1-methyl-2-(4-nitrophenyl)ethyl]thio]glutaric acid Formula: C14H15NO7S MolecularWeight: 341.3364

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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)