[7-(3,4-dichlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] pentanoate

Systemtic Name: [7-(3,4-dichlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] pentanoate Openeye Name: [7-(3,4-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] pentanoate CAS Name: pentanoic acid [7-(3,4-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(3,4-dichlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] pentanoate Traditional Name: valeric acid [7-(3,4-dichlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C18H14Cl2O4S MolecularWeight: 397.27236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC(=C(C=C3)Cl)Cl)OC(=O)S2

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC(=C(C=C3)Cl)Cl)OC(=O)S2

InChI

InChI=1S/C18H14Cl2O4S/c1-2-3-4-16(21)23-11-8-12(10-5-6-13(19)14(20)7-10)17-15(9-11)25-18(22)24-17/h5-9H,2-4H2,1H3