[4-bromanyl-2-(1,3-dithiolan-2-yl)phenyl] 4-chloranylbenzoate

Systemtic Name: [4-bromanyl-2-(1,3-dithiolan-2-yl)phenyl] 4-chloranylbenzoate Openeye Name: [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-bromo-2-(1,3-dithiolan-2-yl)phenyl] ester Formula: C16H12BrClO2S2 MolecularWeight: 415.75228

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CSC(S1)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12BrClO2S2/c17-11-3-6-14(13(9-11)16-21-7-8-22-16)20-15(19)10-1-4-12(18)5-2-10/h1-6,9,16H,7-8H2