1-(4-hexadecylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one

Systemtic Name: 1-(4-hexadecylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one Openeye Name: 1-(4-hexadecylphenyl)-2-methyl-2-tetrahydrothiophen-1-ium-1-yl-propan-1-one CAS Name: 1-(4-hexadecylphenyl)-2-methyl-2-(1-thiolan-1-iumyl)-1-propanone IUPAC Name: 1-(4-hexadecylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one Traditional Name: 1-(4-cetylphenyl)-2-methyl-2-tetrahydrothiophen-1-ium-1-yl-propan-1-one Formula: C30H51OS+ MolecularWeight: 459.79034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(C)(C)[S+]2CCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(C)(C)[S+]2CCCC2

InChI

InChI=1S/C30H51OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-21-23-28(24-22-27)29(31)30(2,3)32-25-18-19-26-32/h21-24H,4-20,25-26H2,1-3H3/q+1