2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propoxy]ethanoate

Systemtic Name: 2-[3-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propoxy]ethanoate Openeye Name: 2-[3-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-3-(2-oxido-2-oxo-ethyl)sulfanyl-propoxy]acetate CAS Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-[(2-oxido-2-oxoethyl)thio]propoxy]acetate IUPAC Name: 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(2-oxido-2-oxoethyl)sulfanylpropoxy]acetate Traditional Name: 2-[3-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-3-[(2-keto-2-oxido-ethyl)thio]propoxy]acetate Formula: C25H28O7S-2 MolecularWeight: 472.55062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)C(C(COCC(=O)[O-])O)SCC(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)C(C(COCC(=O)[O-])O)SCC(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C25H30O7S/c26-21(14-31-15-22(27)28)25(33-16-23(29)30)20-12-6-11-19(18-9-4-5-10-18)24(20)32-13-17-7-2-1-3-8-17/h1-3,6-8,11-12,18,21,25-26H,4-5,9-10,13-16H2,(H,27,28)(H,29,30)/p-2