dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]ethanoic acid

Systemtic Name: dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]ethanoic acid Openeye Name: dicyclohexylammonium; 2-[(2-nitrophenyl)sulfanylamino]acetic acid CAS Name: dicyclohexylammonium; 2-[[(2-nitrophenyl)thio]amino]acetic acid IUPAC Name: dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]acetic acid Traditional Name: dicyclohexylammonium; 2-[[(2-nitrophenyl)thio]amino]acetic acid Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C8H8N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;11-8(12)5-9-15-7-4-2-1-3-6(7)10(13)14/h11-13H,1-10H2;1-4,9H,5H2,(H,11,12)/p+1