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9-oxidanylidene-7-(propylamino)thioxanthene-3-carboxylic acid

9-oxidanylidene-7-(propylamino)thioxanthene-3-carboxylic acid

Systemtic Name:9-oxidanylidene-7-(propylamino)thioxanthene-3-carboxylic acid
Openeye Name:9-oxo-7-(propylamino)thioxanthene-3-carboxylic acid
CAS Name:9-oxo-7-(propylamino)-3-thioxanthenecarboxylic acid
IUPAC Name:9-oxo-7-(propylamino)thioxanthene-3-carboxylic acid
Traditional Name:9-keto-7-(propylamino)thioxanthene-3-carboxylic acid
Formula: C17H15NO3S
MolecularWeight: 313.3709
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O


Isomeric SMILES

CCCNC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O


InChI

InChI=1S/C17H15NO3S/c1-2-7-18-11-4-6-14-13(9-11)16(19)12-5-3-10(17(20)21)8-15(12)22-14/h3-6,8-9,18H,2,7H2,1H3,(H,20,21)


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