[7-[2,3-bis(chloranyl)phenyl]-2-oxidanylidene-1,3-benzoxathiol-5-yl] pentanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2O4S/c1-2-3-7-15(21)23-10-8-12(11-5-4-6-13(19)16(11)20)17-14(9-10)25-18(22)24-17/h4-6,8-9H,2-3,7H2,1H3