1-thiacyclodeca-3,8-diyn-5-yl 4-nitrobenzoate

Systemtic Name: 1-thiacyclodeca-3,8-diyn-5-yl 4-nitrobenzoate Openeye Name: 1-thiacyclodeca-3,8-diyn-5-yl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-thiacyclodeca-3,8-diyn-5-yl ester IUPAC Name: 1-thiacyclodeca-3,8-diyn-5-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-thiacyclodeca-3,8-diyn-5-yl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C#CCSCC#C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(C#CCSCC#C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S/c18-16(13-7-9-14(10-8-13)17(19)20)21-15-5-2-1-3-11-22-12-4-6-15/h7-10,15H,2,5,11-12H2