2-dimethylaminoethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate hydrochloride Openeye Name: 2-dimethylaminoethyl 9,10,10-trioxothioxanthene-3-carboxylate hydrochloride CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 9,10,10-trioxothioxanthene-3-carboxylate hydrochloride Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-dimethylaminoethyl ester hydrochloride Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O.Cl

Isomeric SMILES

CN(C)CCOC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O.Cl

InChI

InChI=1S/C18H17NO5S.ClH/c1-19(2)9-10-24-18(21)12-7-8-14-16(11-12)25(22,23)15-6-4-3-5-13(15)17(14)20;/h3-8,11H,9-10H2,1-2H3;1H