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2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; tributylazanium

2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; tributylazanium

Systemtic Name:2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; tributylazanium
Openeye Name:2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; tributylammonium
CAS Name:2-(1,3-benzoxazol-2-ylthio)butanedioate; tributylammonium
IUPAC Name:2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; tributylazanium
Traditional Name:2-(1,3-benzoxazol-2-ylthio)succinate; tributylammonium
Formula: C23H35N2O5S-
MolecularWeight: 451.5994
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C12H27N.C11H9NO5S/c1-4-7-10-13(11-8-5-2)12-9-6-3;13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h4-12H2,1-3H3;1-4,8H,5H2,(H,13,14)(H,15,16)/p-1


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