dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]-2-phenyl-ethanoate

Systemtic Name: dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]-2-phenyl-ethanoate Openeye Name: dicyclohexylammonium; 2-[(2-nitrophenyl)sulfanylamino]-2-phenyl-acetate CAS Name: dicyclohexylammonium; 2-[[(2-nitrophenyl)thio]amino]-2-phenylacetate IUPAC Name: dicyclohexylazanium; 2-[(2-nitrophenyl)sulfanylamino]-2-phenylacetate Traditional Name: dicyclohexylammonium; 2-[[(2-nitrophenyl)thio]amino]-2-phenyl-acetate Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C(C=C1)C(C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C(C=C1)C(C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S.C12H23N/c17-14(18)13(10-6-2-1-3-7-10)15-21-12-9-5-4-8-11(12)16(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,13,15H,(H,17,18);11-13H,1-10H2