5-[(4-nitrophenyl)methoxy]-4-oxidanylidene-2-phenyl-5-sulfanylidene-pentanethioic S-acid

Systemtic Name: 5-[(4-nitrophenyl)methoxy]-4-oxidanylidene-2-phenyl-5-sulfanylidene-pentanethioic S-acid Openeye Name: 5-[(4-nitrophenyl)methoxy]-4-oxo-2-phenyl-5-thioxo-pentanethioic S-acid CAS Name: 5-[(4-nitrophenyl)methoxy]-4-oxo-2-phenyl-5-sulfanylidenepentanethioic S-acid IUPAC Name: 5-[(4-nitrophenyl)methoxy]-4-oxo-2-phenyl-5-sulfanylidenepentanethioic S-acid Traditional Name: 4-keto-5-(4-nitrobenzyl)oxy-2-phenyl-5-thioxo-thiovaleric acid Formula: C18H15NO5S2 MolecularWeight: 389.4454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5S2/c20-16(10-15(17(21)25)13-4-2-1-3-5-13)18(26)24-11-12-6-8-14(9-7-12)19(22)23/h1-9,15H,10-11H2,(H,21,25)