azanium tert-butyl (E)-2-methyl-4-phenyl-hexadec-2-enoate chloride

Systemtic Name: azanium tert-butyl (E)-2-methyl-4-phenyl-hexadec-2-enoate chloride Openeye Name: ammonium tert-butyl (E)-2-methyl-4-phenyl-hexadec-2-enoate chloride CAS Name: ammonium (E)-2-methyl-4-phenyl-2-hexadecenoic acid tert-butyl ester chloride IUPAC Name: azanium tert-butyl (E)-2-methyl-4-phenylhexadec-2-enoate chloride Traditional Name: ammonium (E)-2-methyl-4-phenyl-hexadec-2-enoic acid tert-butyl ester chloride Formula: C27H48ClNO2 MolecularWeight: 454.12852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C=C(C)C(=O)OC(C)(C)C)C1=CC=CC=C1.[NH4+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(/C=C(\C)/C(=O)OC(C)(C)C)C1=CC=CC=C1.[NH4+].[Cl-]

InChI

InChI=1S/C27H44O2.ClH.H3N/c1-6-7-8-9-10-11-12-13-14-16-21-25(24-19-17-15-18-20-24)22-23(2)26(28)29-27(3,4)5;;/h15,17-20,22,25H,6-14,16,21H2,1-5H3;1H;1H3/b23-22+;;