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

Systemtic Name: 2-[4-(1-benzothiophen-3-ylcarbonyl)-3-(4-hydroxyphenyl)-5-oxidanyl-phenoxy]ethyl cyclohexanecarboxylate Openeye Name: 2-[4-(benzothiophene-3-carbonyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid 2-[4-[1-benzothiophen-3-yl(oxo)methyl]-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl ester IUPAC Name: 2-[4-(1-benzothiophene-3-carbonyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 2-[4-(benzothiophene-3-carbonyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]ethyl ester Formula: C30H28O6S MolecularWeight: 516.60472

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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)C(=O)C4=CSC5=CC=CC=C54)O

Isomeric SMILES

C1CCC(CC1)C(=O)OCCOC2=CC(=C(C(=C2)C3=CC=C(C=C3)O)C(=O)C4=CSC5=CC=CC=C54)O

InChI

InChI=1S/C30H28O6S/c31-21-12-10-19(11-13-21)24-16-22(35-14-15-36-30(34)20-6-2-1-3-7-20)17-26(32)28(24)29(33)25-18-37-27-9-5-4-8-23(25)27/h4-5,8-13,16-18,20,31-32H,1-3,6-7,14-15H2