[3-(bromomethyl)-6-chloranyl-1-benzothiophen-5-yl] benzoate

Systemtic Name: [3-(bromomethyl)-6-chloranyl-1-benzothiophen-5-yl] benzoate Openeye Name: [3-(bromomethyl)-6-chloro-benzothiophen-5-yl] benzoate CAS Name: benzoic acid [3-(bromomethyl)-6-chloro-1-benzothiophen-5-yl] ester IUPAC Name: [3-(bromomethyl)-6-chloro-1-benzothiophen-5-yl] benzoate Traditional Name: benzoic acid [3-(bromomethyl)-6-chloro-benzothiophen-5-yl] ester Formula: C16H10BrClO2S MolecularWeight: 381.6714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2)C(=CS3)CBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2)C(=CS3)CBr)Cl

InChI

InChI=1S/C16H10BrClO2S/c17-8-11-9-21-15-7-13(18)14(6-12(11)15)20-16(19)10-4-2-1-3-5-10/h1-7,9H,8H2