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

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

Systemtic Name:2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dioctylazanium
Openeye Name:2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dioctylammonium
CAS Name:2-(1,3-benzoxazol-2-ylthio)butanedioate; dioctylammonium
IUPAC Name:2-(1,3-benzoxazol-2-ylsulfanyl)butanedioate; dioctylazanium
Traditional Name:2-(1,3-benzoxazol-2-ylthio)succinate; dioctylammonium
Formula: C27H43N2O5S-
MolecularWeight: 507.70572
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH2+]CCCCCCCC.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]


Isomeric SMILES

CCCCCCCC[NH2+]CCCCCCCC.C1=CC=C2C(=C1)N=C(O2)SC(CC(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C16H35N.C11H9NO5S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;13-9(14)5-8(10(15)16)18-11-12-6-3-1-2-4-7(6)17-11/h17H,3-16H2,1-2H3;1-4,8H,5H2,(H,13,14)(H,15,16)/p-1


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