O1-(2-hydroxyphenyl) O5-[2-oxidanyl-5-(thiolan-1-ium-1-yl)phenyl] 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-hydroxyphenyl) O5-[2-oxidanyl-5-(thiolan-1-ium-1-yl)phenyl] 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(2-hydroxyphenyl) O5-(2-hydroxy-5-tetrahydrothiophen-1-ium-1-yl-phenyl) 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-(2-hydroxyphenyl) ester O5-[2-hydroxy-5-(1-thiolan-1-iumyl)phenyl] ester IUPAC Name: 1-O-(2-hydroxyphenyl) 5-O-[2-hydroxy-5-(thiolan-1-ium-1-yl)phenyl] 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 2-ethyl-2,4,4-trimethyl-glutaric acid O1-(2-hydroxyphenyl) ester O5-(2-hydroxy-5-tetrahydrothiophen-1-ium-1-yl-phenyl) ester Formula: C26H33O6S+ MolecularWeight: 473.60162

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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)/p+1