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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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