2-(1,3-benzoxazol-2-ylsulfanyl)hexanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)hexanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)hexanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)hexanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)hexanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)adipic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5S/c15-11(16)7-3-6-10(12(17)18)20-13-14-8-4-1-2-5-9(8)19-13/h1-2,4-5,10H,3,6-7H2,(H,15,16)(H,17,18)