9-methoxy-9-phenyl-thioxanthene; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 9-methoxy-9-phenyl-thioxanthene; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 9-methoxy-9-phenyl-thioxanthene CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 9-methoxy-9-phenylthioxanthene IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 9-methoxy-9-phenylthioxanthene Traditional Name: citric acid; 9-methoxy-9-phenyl-thioxanthene Formula: C26H24O8S MolecularWeight: 496.52896

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1(C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H16OS.C6H8O7/c1-21-20(15-9-3-2-4-10-15)16-11-5-7-13-18(16)22-19-14-8-6-12-17(19)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-14H,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)