2-[(2,5-dicarboxyphenyl)carbonylcarbamothioylcarbamoyl]terephthalic acid

Systemtic Name: 2-[(2,5-dicarboxyphenyl)carbonylcarbamothioylcarbamoyl]terephthalic acid Openeye Name: 2-[(2,5-dicarboxybenzoyl)carbamothioylcarbamoyl]terephthalic acid CAS Name: 2-[[[[[(2,5-dicarboxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-oxomethyl]terephthalic acid IUPAC Name: 2-[(2,5-dicarboxybenzoyl)carbamothioylcarbamoyl]terephthalic acid Traditional Name: 2-[(2,5-dicarboxybenzoyl)thiocarbamoylcarbamoyl]terephthalic acid Formula: C19H12N2O10S MolecularWeight: 460.37098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)NC(=S)NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)NC(=S)NC(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H12N2O10S/c22-13(11-5-7(15(24)25)1-3-9(11)17(28)29)20-19(32)21-14(23)12-6-8(16(26)27)2-4-10(12)18(30)31/h1-6H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H2,20,21,22,23,32)