S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate Openeye Name: S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(2,4,6-trimethylphenyl) ester IUPAC Name: S-(2,4,6-trimethylphenyl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-mesityl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO3S/c1-10-8-11(2)15(12(3)9-10)21-16(18)13-4-6-14(7-5-13)17(19)20/h4-9H,1-3H3