(6,6-dimethyl-5-oxidanylidene-2H-thiopyran-3-yl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (6,6-dimethyl-5-oxidanylidene-2H-thiopyran-3-yl) 4-chloranyl-2-nitro-benzoate Openeye Name: (6,6-dimethyl-5-oxo-2H-thiopyran-3-yl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (6,6-dimethyl-5-oxo-2H-thiopyran-3-yl) ester IUPAC Name: (6,6-dimethyl-5-oxo-2H-thiopyran-3-yl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (5-keto-6,6-dimethyl-2H-thiopyran-3-yl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C(CS1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=O)C=C(CS1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C14H12ClNO5S/c1-14(2)12(17)6-9(7-22-14)21-13(18)10-4-3-8(15)5-11(10)16(19)20/h3-6H,7H2,1-2H3