tert-butylazanium; (E)-4-(3,4-dichlorophenyl)-4-phenyl-but-3-enoate

Systemtic Name: tert-butylazanium; (E)-4-(3,4-dichlorophenyl)-4-phenyl-but-3-enoate Openeye Name: tert-butylammonium; (E)-4-(3,4-dichlorophenyl)-4-phenyl-but-3-enoate CAS Name: tert-butylammonium; (E)-4-(3,4-dichlorophenyl)-4-phenyl-3-butenoate IUPAC Name: tert-butylazanium; (E)-4-(3,4-dichlorophenyl)-4-phenylbut-3-enoate Traditional Name: tert-butylammonium; (E)-4-(3,4-dichlorophenyl)-4-phenyl-but-3-enoate Formula: C20H23Cl2NO2 MolecularWeight: 380.30812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH3+].C1=CC=C(C=C1)C(=CCC(=O)[O-])C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)[NH3+].C1=CC=C(C=C1)/C(=C\CC(=O)[O-])/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H12Cl2O2.C4H11N/c17-14-8-6-12(10-15(14)18)13(7-9-16(19)20)11-4-2-1-3-5-11;1-4(2,3)5/h1-8,10H,9H2,(H,19,20);5H2,1-3H3/b13-7+;