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1-nitro-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid

1-nitro-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid

Systemtic Name:1-nitro-9-oxidanylidene-thioxanthene-3,4-dicarboxylic acid
Openeye Name:1-nitro-9-oxo-thioxanthene-3,4-dicarboxylic acid
CAS Name:1-nitro-9-oxothioxanthene-3,4-dicarboxylic acid
IUPAC Name:1-nitro-9-oxothioxanthene-3,4-dicarboxylic acid
Traditional Name:9-keto-1-nitro-thioxanthene-3,4-dicarboxylic acid
Formula: C15H7NO7S
MolecularWeight: 345.28358
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3S2)C(=O)O)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3S2)C(=O)O)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C15H7NO7S/c17-12-6-3-1-2-4-9(6)24-13-10(15(20)21)7(14(18)19)5-8(11(12)13)16(22)23/h1-5H,(H,18,19)(H,20,21)


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