[5-oxidanyl-5-oxidanylidene-4-(2-phenylphenyl)pentyl]-(3-phenylpropyl)-prop-2-enyl-azanium ethanoate

Systemtic Name: [5-oxidanyl-5-oxidanylidene-4-(2-phenylphenyl)pentyl]-(3-phenylpropyl)-prop-2-enyl-azanium ethanoate Openeye Name: allyl-[5-hydroxy-5-oxo-4-(2-phenylphenyl)pentyl]-(3-phenylpropyl)ammonium acetate CAS Name: [5-hydroxy-5-oxo-4-(2-phenylphenyl)pentyl]-(3-phenylpropyl)-prop-2-enylammonium acetate IUPAC Name: [5-hydroxy-5-oxo-4-(2-phenylphenyl)pentyl]-(3-phenylpropyl)-prop-2-enylazanium acetate Traditional Name: allyl-[5-hydroxy-5-keto-4-(2-phenylphenyl)pentyl]-(3-phenylpropyl)ammonium acetate Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C=CC[NH+](CCCC1=CC=CC=C1)CCCC(C2=CC=CC=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)[O-].C=CC[NH+](CCCC1=CC=CC=C1)CCCC(C2=CC=CC=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H33NO2.C2H4O2/c1-2-21-30(22-11-15-24-13-5-3-6-14-24)23-12-20-28(29(31)32)27-19-10-9-18-26(27)25-16-7-4-8-17-25;1-2(3)4/h2-10,13-14,16-19,28H,1,11-12,15,20-23H2,(H,31,32);1H3,(H,3,4)