2-[5-isothiocyanato-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[5-isothiocyanato-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(5-isothiocyanato-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetic acid CAS Name: 2-(5-isothiocyanato-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid IUPAC Name: 2-(5-isothiocyanato-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid Traditional Name: 2-(5-isothiocyanato-1,3-diketo-benzo[de]isoquinolin-2-yl)acetic acid Formula: C15H8N2O4S MolecularWeight: 312.30002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC(=O)O)N=C=S

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC(=O)O)N=C=S

InChI

InChI=1S/C15H8N2O4S/c18-12(19)6-17-14(20)10-3-1-2-8-4-9(16-7-22)5-11(13(8)10)15(17)21/h1-5H,6H2,(H,18,19)