(4-methyl-9-oxidanylidene-thioxanthen-2-yl) propanoate

Systemtic Name: (4-methyl-9-oxidanylidene-thioxanthen-2-yl) propanoate Openeye Name: (4-methyl-9-oxo-thioxanthen-2-yl) propanoate CAS Name: propanoic acid (4-methyl-9-oxo-2-thioxanthenyl) ester IUPAC Name: (4-methyl-9-oxothioxanthen-2-yl) propanoate Traditional Name: propionic acid (9-keto-4-methyl-thioxanthen-2-yl) ester Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3S2)C

Isomeric SMILES

CCC(=O)OC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3S2)C

InChI

InChI=1S/C17H14O3S/c1-3-15(18)20-11-8-10(2)17-13(9-11)16(19)12-6-4-5-7-14(12)21-17/h4-9H,3H2,1-2H3