5-(2,4-dinitrophenyl)sulfanyl-4-oxidanylidene-hexanoic acid

Systemtic Name: 5-(2,4-dinitrophenyl)sulfanyl-4-oxidanylidene-hexanoic acid Openeye Name: 5-(2,4-dinitrophenyl)sulfanyl-4-oxo-hexanoic acid CAS Name: 5-[(2,4-dinitrophenyl)thio]-4-oxohexanoic acid IUPAC Name: 5-(2,4-dinitrophenyl)sulfanyl-4-oxohexanoic acid Traditional Name: 5-[(2,4-dinitrophenyl)thio]-4-keto-hexanoic acid Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCC(=O)O)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)CCC(=O)O)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O7S/c1-7(10(15)3-5-12(16)17)22-11-4-2-8(13(18)19)6-9(11)14(20)21/h2,4,6-7H,3,5H2,1H3,(H,16,17)