4-(thiolan-1-ium-1-yl)-2-[2,2,4-trimethyl-4-(2-oxidanylphenoxy)carbonyl-hexanoyl]oxy-phenolate

Systemtic Name: 4-(thiolan-1-ium-1-yl)-2-[2,2,4-trimethyl-4-(2-oxidanylphenoxy)carbonyl-hexanoyl]oxy-phenolate Openeye Name: 2-[4-(2-hydroxyphenoxy)carbonyl-2,2,4-trimethyl-hexanoyl]oxy-4-tetrahydrothiophen-1-ium-1-yl-phenolate CAS Name: 2-[4-[(2-hydroxyphenoxy)-oxomethyl]-2,2,4-trimethyl-1-oxohexoxy]-4-(1-thiolan-1-iumyl)phenolate IUPAC Name: 2-[4-(2-hydroxyphenoxy)carbonyl-2,2,4-trimethylhexanoyl]oxy-4-(thiolan-1-ium-1-yl)phenolate Traditional Name: 2-[4-(2-hydroxyphenoxy)carbonyl-2,2,4-trimethyl-hexanoyl]oxy-4-tetrahydrothiophen-1-ium-1-yl-phenolate Formula: C26H32O6S MolecularWeight: 472.59368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC1=C(C=CC(=C1)[S+]2CCCC2)[O-])C(=O)OC3=CC=CC=C3O

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC1=C(C=CC(=C1)[S+]2CCCC2)[O-])C(=O)OC3=CC=CC=C3O

InChI

InChI=1S/C26H32O6S/c1-5-26(4,24(30)31-21-11-7-6-10-19(21)27)17-25(2,3)23(29)32-22-16-18(12-13-20(22)28)33-14-8-9-15-33/h6-7,10-13,16H,5,8-9,14-15,17H2,1-4H3,(H-,27,28)