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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-6-phenylsulfanyl-benzo[de]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(1,3-dioxo-6-phenylsulfanyl-benzo[de]isoquinolin-2-yl)acetic acid CAS Name: 2-[1,3-dioxo-6-(phenylthio)-2-benzo[de]isoquinolinyl]acetic acid IUPAC Name: 2-(1,3-dioxo-6-phenylsulfanylbenzo[de]isoquinolin-2-yl)acetic acid Traditional Name: 2-[1,3-diketo-6-(phenylthio)benzo[de]isoquinolin-2-yl]acetic acid Formula: C20H13NO4S MolecularWeight: 363.38652

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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=O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H13NO4S/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)