1-(1,3-benzoxazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid

Systemtic Name: 1-(1,3-benzoxazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid Openeye Name: 1-(1,3-benzoxazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid CAS Name: 1-(1,3-benzoxazol-2-ylthio)propane-1,2,3-tricarboxylic acid IUPAC Name: 1-(1,3-benzoxazol-2-ylsulfanyl)propane-1,2,3-tricarboxylic acid Traditional Name: 1-(1,3-benzoxazol-2-ylthio)propane-1,2,3-tricarboxylic acid Formula: C13H11NO7S MolecularWeight: 325.29394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(C(CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC(C(CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO7S/c15-9(16)5-6(11(17)18)10(12(19)20)22-13-14-7-3-1-2-4-8(7)21-13/h1-4,6,10H,5H2,(H,15,16)(H,17,18)(H,19,20)