2-(2-methyl-9-oxidanylidene-thioxanthen-1-yl)oxyethanoic acid

Systemtic Name: 2-(2-methyl-9-oxidanylidene-thioxanthen-1-yl)oxyethanoic acid Openeye Name: 2-(2-methyl-9-oxo-thioxanthen-1-yl)oxyacetic acid CAS Name: 2-[(2-methyl-9-oxo-1-thioxanthenyl)oxy]acetic acid IUPAC Name: 2-(2-methyl-9-oxothioxanthen-1-yl)oxyacetic acid Traditional Name: 2-(9-keto-2-methyl-thioxanthen-1-yl)oxyacetic acid Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC3=CC=CC=C3C2=O)OCC(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)SC3=CC=CC=C3C2=O)OCC(=O)O

InChI

InChI=1S/C16H12O4S/c1-9-6-7-12-14(16(9)20-8-13(17)18)15(19)10-4-2-3-5-11(10)21-12/h2-7H,8H2,1H3,(H,17,18)