2-[(9-oxidanylidenethioxanthen-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(9-oxidanylidenethioxanthen-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(9-oxothioxanthen-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(9-oxo-2-thioxanthenyl)methylthio]acetic acid IUPAC Name: 2-[(9-oxothioxanthen-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(9-ketothioxanthen-2-yl)methylthio]acetic acid Formula: C16H12O3S2 MolecularWeight: 316.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CSCC(=O)O

InChI

InChI=1S/C16H12O3S2/c17-15(18)9-20-8-10-5-6-14-12(7-10)16(19)11-3-1-2-4-13(11)21-14/h1-7H,8-9H2,(H,17,18)