(2-oxidanylidene-4-propanoyl-benzo[g][1,3]benzoxathiol-5-yl) ethanoate

Systemtic Name: (2-oxidanylidene-4-propanoyl-benzo[g][1,3]benzoxathiol-5-yl) ethanoate Openeye Name: (2-oxo-4-propanoyl-benzo[g][1,3]benzoxathiol-5-yl) acetate CAS Name: acetic acid [2-oxo-4-(1-oxopropyl)-5-benzo[g][1,3]benzoxathiolyl] ester IUPAC Name: (2-oxo-4-propanoylbenzo[g][1,3]benzoxathiol-5-yl) acetate Traditional Name: acetic acid (2-keto-4-propionyl-benzo[g][1,3]benzoxathiol-5-yl) ester Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=CC=CC=C2C3=C1SC(=O)O3)OC(=O)C

Isomeric SMILES

CCC(=O)C1=C(C2=CC=CC=C2C3=C1SC(=O)O3)OC(=O)C

InChI

InChI=1S/C16H12O5S/c1-3-11(18)12-13(20-8(2)17)9-6-4-5-7-10(9)14-15(12)22-16(19)21-14/h4-7H,3H2,1-2H3