4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)butane-1,2,3-tricarboxylic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butane-1,2,3-tricarboxylic acid Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butane-1,2,3-tricarboxylic acid Formula: C14H13NO6S2 MolecularWeight: 355.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(C(CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(C(CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO6S2/c16-11(17)5-7(12(18)19)8(13(20)21)6-22-14-15-9-3-1-2-4-10(9)23-14/h1-4,7-8H,5-6H2,(H,16,17)(H,18,19)(H,20,21)