S-tert-butyl 2-(4-nitrophenyl)ethanethioate

Systemtic Name: S-tert-butyl 2-(4-nitrophenyl)ethanethioate Openeye Name: S-tert-butyl 2-(4-nitrophenyl)ethanethioate CAS Name: 2-(4-nitrophenyl)ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-(4-nitrophenyl)ethanethioate Traditional Name: 2-(4-nitrophenyl)ethanethioic acid S-tert-butyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-12(2,3)17-11(14)8-9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3