2-[(2-methyl-9-oxidanylidene-3H-thioxanthen-2-yl)oxy]ethanoic acid

Systemtic Name: 2-[(2-methyl-9-oxidanylidene-3H-thioxanthen-2-yl)oxy]ethanoic acid Openeye Name: 2-[(2-methyl-9-oxo-3H-thioxanthen-2-yl)oxy]acetic acid CAS Name: 2-[(2-methyl-9-oxo-3H-thioxanthen-2-yl)oxy]acetic acid IUPAC Name: 2-[(2-methyl-9-oxo-3H-thioxanthen-2-yl)oxy]acetic acid Traditional Name: 2-[(9-keto-2-methyl-3H-thioxanthen-2-yl)oxy]acetic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C2C(=C1)C(=O)C3=CC=CC=C3S2)OCC(=O)O

Isomeric SMILES

CC1(CC=C2C(=C1)C(=O)C3=CC=CC=C3S2)OCC(=O)O

InChI

InChI=1S/C16H14O4S/c1-16(20-9-14(17)18)7-6-13-11(8-16)15(19)10-4-2-3-5-12(10)21-13/h2-6,8H,7,9H2,1H3,(H,17,18)