2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl 4-chloranylbenzoate Openeye Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]ethyl ester IUPAC Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]ethyl ester Formula: C23H16ClNO6S MolecularWeight: 469.89424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCOC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCOC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16ClNO6S/c24-16-8-5-14(6-9-16)23(28)31-12-11-25-22(27)15-7-10-18-20(13-15)32(29,30)19-4-2-1-3-17(19)21(18)26/h1-10,13H,11-12H2,(H,25,27)