2-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]benzoate

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylsulfanyl]benzoate Openeye Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoate CAS Name: 2-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]benzoate IUPAC Name: 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoate Traditional Name: 2-[3-(1,3-diketobenzo[de]isoquinolin-2-yl)propylthio]benzoate Formula: C22H16NO4S- MolecularWeight: 390.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)/p-1