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dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]pentanoate

dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]pentanoate

Systemtic Name:dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]pentanoate
Openeye Name:dicyclohexylammonium; 2-[(2-nitrophenyl)sulfanylamino]pentanoate
CAS Name:dicyclohexylammonium; 2-[[(2-nitrophenyl)thio]amino]pentanoate
IUPAC Name:dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]pentanoate
Traditional Name:dicyclohexylammonium; 2-[[(2-nitrophenyl)thio]amino]valerate
Formula: C23H37N3O4S
MolecularWeight: 451.62258
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2


Isomeric SMILES

CCCC(C(=O)[O-])NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2


InChI

InChI=1S/C12H23N.C11H14N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-8(11(14)15)12-18-10-7-4-3-6-9(10)13(16)17/h11-13H,1-10H2;3-4,6-8,12H,2,5H2,1H3,(H,14,15)


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