2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]oxyphenoxy]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethyl ester IUPAC Name: 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]oxyphenoxy]ethyl ester Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCOC1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC(C)(C)C(=O)OCCOC1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C27H26O6S/c1-27(2,3)26(30)32-15-14-31-20-9-11-21(12-10-20)33-24-22-13-8-19(29)16-23(22)34-25(24)17-4-6-18(28)7-5-17/h4-13,16,28-29H,14-15H2,1-3H3