2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methyl]phenoxy]ethyl cyclohexanecarboxylate

Systemtic Name: 2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methyl]phenoxy]ethyl cyclohexanecarboxylate Openeye Name: 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methyl]phenoxy]ethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methyl]phenoxy]ethyl ester Formula: C30H30O5S MolecularWeight: 502.6212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCC(CC1)C(=O)OCCOC2=CC=C(C=C2)CC3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C30H30O5S/c31-23-10-8-21(9-11-23)29-27(26-15-12-24(32)19-28(26)36-29)18-20-6-13-25(14-7-20)34-16-17-35-30(33)22-4-2-1-3-5-22/h6-15,19,22,31-32H,1-5,16-18H2