azanium O4-(1,3-benzoxazol-2-ylsulfanyl) O1-ethyl butanedioate

Systemtic Name: azanium O4-(1,3-benzoxazol-2-ylsulfanyl) O1-ethyl butanedioate Openeye Name: ammonium O4-(1,3-benzoxazol-2-ylsulfanyl) O1-ethyl butanedioate CAS Name: ammonium butanedioic acid O4-(1,3-benzoxazol-2-ylthio) ester O1-ethyl ester IUPAC Name: azanium 4-O-(1,3-benzoxazol-2-ylsulfanyl) 1-O-ethyl butanedioate Traditional Name: ammonium succinic acid O4-(1,3-benzoxazol-2-ylthio) ester O1-ethyl ester Formula: C13H17N2O5S+ MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2O1.[NH4+]

Isomeric SMILES

CCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2O1.[NH4+]

InChI

InChI=1S/C13H13NO5S.H3N/c1-2-17-11(15)7-8-12(16)19-20-13-14-9-5-3-4-6-10(9)18-13;/h3-6H,2,7-8H2,1H3;1H3/p+1