2-methylpropyl 9-oxidanylidenethioxanthene-1-carboxylate

Systemtic Name: 2-methylpropyl 9-oxidanylidenethioxanthene-1-carboxylate Openeye Name: isobutyl 9-oxothioxanthene-1-carboxylate CAS Name: 9-oxo-1-thioxanthenecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 9-oxothioxanthene-1-carboxylate Traditional Name: 9-ketothioxanthene-1-carboxylic acid isobutyl ester Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)COC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H16O3S/c1-11(2)10-21-18(20)13-7-5-9-15-16(13)17(19)12-6-3-4-8-14(12)22-15/h3-9,11H,10H2,1-2H3