6-nitrospiro[chromene-2,4'-thiane]-4-carboxylic acid

Systemtic Name: 6-nitrospiro[chromene-2,4'-thiane]-4-carboxylic acid Openeye Name: 6-nitrospiro[chromene-2,4'-tetrahydrothiopyran]-4-carboxylic acid CAS Name: 6-nitro-4-spiro[1-benzopyran-2,4'-thiane]carboxylic acid IUPAC Name: 6-nitrospiro[chromene-2,4'-thiane]-4-carboxylic acid Traditional Name: 6-nitrospiro[chromene-2,4'-tetrahydrothiopyran]-4-carboxylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC12C=C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSCCC12C=C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13NO5S/c16-13(17)11-8-14(3-5-21-6-4-14)20-12-2-1-9(15(18)19)7-10(11)12/h1-2,7-8H,3-6H2,(H,16,17)