S-(4-nitrophenyl) 8-bromanyloctanethioate

Systemtic Name: S-(4-nitrophenyl) 8-bromanyloctanethioate Openeye Name: S-(4-nitrophenyl) 8-bromooctanethioate CAS Name: 8-bromooctanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 8-bromooctanethioate Traditional Name: 8-bromooctanethioic acid S-(4-nitrophenyl) ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC(=O)CCCCCCCBr

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC(=O)CCCCCCCBr

InChI

InChI=1S/C14H18BrNO3S/c15-11-5-3-1-2-4-6-14(17)20-13-9-7-12(8-10-13)16(18)19/h7-10H,1-6,11H2