(6-chloranyl-3-methyl-1-benzothiophen-5-yl) 4-nitrobenzoate

Systemtic Name: (6-chloranyl-3-methyl-1-benzothiophen-5-yl) 4-nitrobenzoate Openeye Name: (6-chloro-3-methyl-benzothiophen-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-chloro-3-methyl-1-benzothiophen-5-yl) ester IUPAC Name: (6-chloro-3-methyl-1-benzothiophen-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-chloro-3-methyl-benzothiophen-5-yl) ester Formula: C16H10ClNO4S MolecularWeight: 347.7729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=CC(=C(C=C12)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CSC2=CC(=C(C=C12)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClNO4S/c1-9-8-23-15-7-13(17)14(6-12(9)15)22-16(19)10-2-4-11(5-3-10)18(20)21/h2-8H,1H3