1-butyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 1-butyl-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 1-butyl-9,10,10-trioxo-thioxanthene-3-carboxylate CAS Name: 1-butyl-9,10,10-trioxo-3-thioxanthenecarboxylate IUPAC Name: 1-butyl-9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 1-butyl-9,10,10-triketo-thioxanthene-3-carboxylate Formula: C18H15O5S- MolecularWeight: 343.3737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CC(=C1)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=C2C(=CC(=C1)C(=O)[O-])S(=O)(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H16O5S/c1-2-3-6-11-9-12(18(20)21)10-15-16(11)17(19)13-7-4-5-8-14(13)24(15,22)23/h4-5,7-10H,2-3,6H2,1H3,(H,20,21)/p-1