2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate; tris(2-hydroxyethyl)azanium Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate; tris(2-hydroxyethyl)ammonium CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]butanedioate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)butanedioate; tris(2-hydroxyethyl)azanium Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]succinate; tris(2-hydroxyethyl)ammonium Formula: C24H41N3O11S MolecularWeight: 579.66084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(CC(=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(CC(=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C12H11NO5S.2C6H15NO3/c14-10(15)5-7(11(16)17)6-19-12-13-8-3-1-2-4-9(8)18-12;2*8-4-1-7(2-5-9)3-6-10/h1-4,7H,5-6H2,(H,14,15)(H,16,17);2*8-10H,1-6H2