methyl 3-oxidanylidene-2-(9H-thioxanthen-9-yl)butanoate

Systemtic Name: methyl 3-oxidanylidene-2-(9H-thioxanthen-9-yl)butanoate Openeye Name: methyl 3-oxo-2-(9H-thioxanthen-9-yl)butanoate CAS Name: 3-oxo-2-(9H-thioxanthen-9-yl)butanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-(9H-thioxanthen-9-yl)butanoate Traditional Name: 3-keto-2-(9H-thioxanthen-9-yl)butyric acid methyl ester Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1C2=CC=CC=C2SC3=CC=CC=C13)C(=O)OC

Isomeric SMILES

CC(=O)C(C1C2=CC=CC=C2SC3=CC=CC=C13)C(=O)OC

InChI

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