S-pent-4-ynyl 4-nitrobenzenecarbothioate

Systemtic Name: S-pent-4-ynyl 4-nitrobenzenecarbothioate Openeye Name: S-pent-4-ynyl 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-pent-4-ynyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCCCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO3S/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h1,5-8H,3-4,9H2