9-[(5-nitrothiophen-2-yl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione

Systemtic Name: 9-[(5-nitrothiophen-2-yl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Openeye Name: 9-[(5-nitro-2-thienyl)methylene]-7,11-dioxaspiro[5.5]undecane-8,10-dione CAS Name: 9-[(5-nitro-2-thiophenyl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione IUPAC Name: 9-[(5-nitrothiophen-2-yl)methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-dione Traditional Name: 9-[(5-nitro-2-thienyl)methylene]-7,11-dioxaspiro[5.5]undecane-8,10-quinone Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1CCC2(CC1)OC(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C14H13NO6S/c16-12-10(8-9-4-5-11(22-9)15(18)19)13(17)21-14(20-12)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2