2-(9-cyanothioxanthen-9-yl)ethanoic acid

Systemtic Name: 2-(9-cyanothioxanthen-9-yl)ethanoic acid Openeye Name: 2-(9-cyanothioxanthen-9-yl)acetic acid CAS Name: 2-(9-cyano-9-thioxanthenyl)acetic acid IUPAC Name: 2-(9-cyanothioxanthen-9-yl)acetic acid Traditional Name: 2-(9-cyanothioxanthen-9-yl)acetic acid Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)(CC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)(CC(=O)O)C#N

InChI

InChI=1S/C16H11NO2S/c17-10-16(9-15(18)19)11-5-1-3-7-13(11)20-14-8-4-2-6-12(14)16/h1-8H,9H2,(H,18,19)