[azanyl-[(E)-5-ethoxy-5-oxidanylidene-1-phenyl-pent-3-en-2-yl]sulfanyl-methylidene]azanium; 4-nitrobenzenesulfonate

Systemtic Name: [azanyl-[(E)-5-ethoxy-5-oxidanylidene-1-phenyl-pent-3-en-2-yl]sulfanyl-methylidene]azanium; 4-nitrobenzenesulfonate Openeye Name: [amino-[(E)-1-benzyl-4-ethoxy-4-oxo-but-2-enyl]sulfanyl-methylene]ammonium; 4-nitrobenzenesulfonate CAS Name: [amino-[[(E)-5-ethoxy-5-oxo-1-phenylpent-3-en-2-yl]thio]methylidene]ammonium; 4-nitrobenzenesulfonate IUPAC Name: [amino-[(E)-5-ethoxy-5-oxo-1-phenylpent-3-en-2-yl]sulfanylmethylidene]azanium; 4-nitrobenzenesulfonate Traditional Name: [amino-[[(E)-1-benzyl-4-ethoxy-4-keto-but-2-enyl]thio]methylene]ammonium; 4-nitrobesylate Formula: C20H23N3O7S2 MolecularWeight: 481.54252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)SC(=[NH2+])N.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C(CC1=CC=CC=C1)SC(=[NH2+])N.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C14H18N2O2S.C6H5NO5S/c1-2-18-13(17)9-8-12(19-14(15)16)10-11-6-4-3-5-7-11;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h3-9,12H,2,10H2,1H3,(H3,15,16);1-4H,(H,10,11,12)/b9-8+;