2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]terephthalic acid Formula: C18H15NO5S2 MolecularWeight: 389.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO5S2/c20-15(10-1-3-11(4-2-10)18-25-7-8-26-18)19-14-9-12(16(21)22)5-6-13(14)17(23)24/h1-6,9,18H,7-8H2,(H,19,20)(H,21,22)(H,23,24)