2-[4-(1-benzothiophen-3-ylmethyl)-3-(4-hydroxyphenyl)-5-oxidanyl-phenoxy]ethyl cyclohexanecarboxylate

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)-3-(4-hydroxyphenyl)-5-oxidanyl-phenoxy]ethyl cyclohexanecarboxylate Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-[4-(1-benzothiophen-3-ylmethyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl ester IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-[4-(benzothiophen-3-ylmethyl)-3-hydroxy-5-(4-hydroxyphenyl)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)C3=CC=C(C=C3)O)CC4=CSC5=CC=CC=C54)O

Isomeric SMILES

C1CCC(CC1)C(=O)OCCOC2=CC(=C(C(=C2)C3=CC=C(C=C3)O)CC4=CSC5=CC=CC=C54)O

InChI

InChI=1S/C30H30O5S/c31-23-12-10-20(11-13-23)26-17-24(34-14-15-35-30(33)21-6-2-1-3-7-21)18-28(32)27(26)16-22-19-36-29-9-5-4-8-25(22)29/h4-5,8-13,17-19,21,31-32H,1-3,6-7,14-16H2