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3-methyl-8-nitro-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid

3-methyl-8-nitro-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid

Systemtic Name:3-methyl-8-nitro-4-oxidanylidene-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid
Openeye Name:3-methyl-8-nitro-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid
CAS Name:3-methyl-8-nitro-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid
IUPAC Name:3-methyl-8-nitro-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid
Traditional Name:4-keto-3-methyl-8-nitro-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid
Formula: C14H9NO6S
MolecularWeight: 319.28936
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)CSC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O


Isomeric SMILES

CC1=C(OC2=C(C1=O)CSC3=C2C=CC(=C3)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C14H9NO6S/c1-6-11(16)9-5-22-10-4-7(15(19)20)2-3-8(10)13(9)21-12(6)14(17)18/h2-4H,5H2,1H3,(H,17,18)


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