dibenzothiophene-2,8-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: dibenzothiophene-2,8-dicarboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; dibenzothiophene-2,8-dicarboxamide CAS Name: dibenzothiophene-2,8-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: dibenzothiophene-2,8-dicarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; dibenzothiophene-2,8-dicarboxamide Formula: C26H26N2O16S MolecularWeight: 654.55344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)N)C3=C(S2)C=CC(=C3)C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N)C3=C(S2)C=CC(=C3)C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H10N2O2S.2C6H8O7/c15-13(17)7-1-3-11-9(5-7)10-6-8(14(16)18)2-4-12(10)19-11;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6H,(H2,15,17)(H2,16,18);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)