6-(3,5-dinitrothiophen-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Systemtic Name: 6-(3,5-dinitrothiophen-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one Openeye Name: 6-(3,5-dinitro-2-thienyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one CAS Name: 6-(3,5-dinitro-2-thiophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one IUPAC Name: 6-(3,5-dinitrothiophen-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one Traditional Name: 6-(3,5-dinitro-2-thienyl)-6,7,8,9-tetrahydrobenzocyclohepten-5-one Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C2=CC=CC=C2C1)C3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C(=O)C2=CC=CC=C2C1)C3=C(C=C(S3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c18-14-10-6-2-1-4-9(10)5-3-7-11(14)15-12(16(19)20)8-13(23-15)17(21)22/h1-2,4,6,8,11H,3,5,7H2