3-ethylsulfanyl-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid

Systemtic Name: 3-ethylsulfanyl-5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)pentanoic acid Openeye Name: 3-ethylsulfanyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxo-pentanoic acid CAS Name: 3-(ethylthio)-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid IUPAC Name: 3-ethylsulfanyl-5-[(4-nitrophenyl)methoxy]-4,5-dioxopentanoic acid Traditional Name: 3-(ethylthio)-4,5-diketo-5-(4-nitrobenzyl)oxy-valeric acid Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(=O)O)C(=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCSC(CC(=O)O)C(=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO7S/c1-2-23-11(7-12(16)17)13(18)14(19)22-8-9-3-5-10(6-4-9)15(20)21/h3-6,11H,2,7-8H2,1H3,(H,16,17)