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

Systemtic Name: 5-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanylidene)-3-phenylsulfanyl-pentanoic acid Openeye Name: 5-[(4-nitrophenyl)methoxy]-4,5-dioxo-3-phenylsulfanyl-pentanoic acid CAS Name: 5-[(4-nitrophenyl)methoxy]-4,5-dioxo-3-(phenylthio)pentanoic acid IUPAC Name: 5-[(4-nitrophenyl)methoxy]-4,5-dioxo-3-phenylsulfanylpentanoic acid Traditional Name: 4,5-diketo-5-(4-nitrobenzyl)oxy-3-(phenylthio)valeric acid Formula: C18H15NO7S MolecularWeight: 389.3792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CC(=O)O)C(=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC(CC(=O)O)C(=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO7S/c20-16(21)10-15(27-14-4-2-1-3-5-14)17(22)18(23)26-11-12-6-8-13(9-7-12)19(24)25/h1-9,15H,10-11H2,(H,20,21)