9-oxidanylidene-7-(prop-2-enylamino)thioxanthene-3-carboxylic acid

Systemtic Name: 9-oxidanylidene-7-(prop-2-enylamino)thioxanthene-3-carboxylic acid Openeye Name: 7-(allylamino)-9-oxo-thioxanthene-3-carboxylic acid CAS Name: 9-oxo-7-(prop-2-enylamino)-3-thioxanthenecarboxylic acid IUPAC Name: 9-oxo-7-(prop-2-enylamino)thioxanthene-3-carboxylic acid Traditional Name: 7-(allylamino)-9-keto-thioxanthene-3-carboxylic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

Isomeric SMILES

C=CCNC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13NO3S/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/h2-6,8-9,18H,1,7H2,(H,20,21)