[3-[bis(bromanyl)methyl]-6-chloranyl-1-benzothiophen-5-yl] 4-nitrobenzoate

Systemtic Name: [3-[bis(bromanyl)methyl]-6-chloranyl-1-benzothiophen-5-yl] 4-nitrobenzoate Openeye Name: [6-chloro-3-(dibromomethyl)benzothiophen-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-chloro-3-(dibromomethyl)-1-benzothiophen-5-yl] ester IUPAC Name: [6-chloro-3-(dibromomethyl)-1-benzothiophen-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-chloro-3-(dibromomethyl)benzothiophen-5-yl] ester Formula: C16H8Br2ClNO4S MolecularWeight: 505.56502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=CS3)C(Br)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=CS3)C(Br)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H8Br2ClNO4S/c17-15(18)11-7-25-14-6-12(19)13(5-10(11)14)24-16(21)8-1-3-9(4-2-8)20(22)23/h1-7,15H