2-(9H-thioxanthen-9-yl)propanedioic acid

Systemtic Name: 2-(9H-thioxanthen-9-yl)propanedioic acid Openeye Name: 2-(9H-thioxanthen-9-yl)propanedioic acid CAS Name: 2-(9H-thioxanthen-9-yl)propanedioic acid IUPAC Name: 2-(9H-thioxanthen-9-yl)propanedioic acid Traditional Name: 2-(9H-thioxanthen-9-yl)malonic acid Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O4S/c17-15(18)14(16(19)20)13-9-5-1-3-7-11(9)21-12-8-4-2-6-10(12)13/h1-8,13-14H,(H,17,18)(H,19,20)