2-(1-oxidanylidene-6-phenylsulfanyl-3-sulfanylidene-benzo[de]isoquinolin-2-yl)ethanoic acid

Systemtic Name: 2-(1-oxidanylidene-6-phenylsulfanyl-3-sulfanylidene-benzo[de]isoquinolin-2-yl)ethanoic acid Openeye Name: 2-(1-oxo-6-phenylsulfanyl-3-thioxo-benzo[de]isoquinolin-2-yl)acetic acid CAS Name: 2-[1-oxo-6-(phenylthio)-3-sulfanylidene-2-benzo[de]isoquinolinyl]acetic acid IUPAC Name: 2-(1-oxo-6-phenylsulfanyl-3-sulfanylidenebenzo[de]isoquinolin-2-yl)acetic acid Traditional Name: 2-[1-keto-6-(phenylthio)-3-thioxo-benzo[de]isoquinolin-2-yl]acetic acid Formula: C20H13NO3S2 MolecularWeight: 379.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C3C=CC=C4C3=C(C=C2)C(=S)N(C4=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C3C=CC=C4C3=C(C=C2)C(=S)N(C4=O)CC(=O)O

InChI

InChI=1S/C20H13NO3S2/c22-17(23)11-21-19(24)14-8-4-7-13-16(26-12-5-2-1-3-6-12)10-9-15(18(13)14)20(21)25/h1-10H,11H2,(H,22,23)