3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: 3-[1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: 3-[1-(2-benzyloxy-3-cyclopentyl-phenyl)-2-hydroxy-3-(2-oxido-2-oxo-ethyl)sulfanyl-propyl]sulfanylpropanoate CAS Name: 3-[[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-[(2-oxido-2-oxoethyl)thio]propyl]thio]propanoate IUPAC Name: 3-[1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(2-oxido-2-oxoethyl)sulfanylpropyl]sulfanylpropanoate Traditional Name: 3-[[1-(2-benzoxy-3-cyclopentyl-phenyl)-2-hydroxy-3-[(2-keto-2-oxido-ethyl)thio]propyl]thio]propionate Formula: C26H30O6S2-2 MolecularWeight: 502.6428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)C(C(CSCC(=O)[O-])O)SCCC(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)C(C(CSCC(=O)[O-])O)SCCC(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C26H32O6S2/c27-22(16-33-17-24(30)31)26(34-14-13-23(28)29)21-12-6-11-20(19-9-4-5-10-19)25(21)32-15-18-7-2-1-3-8-18/h1-3,6-8,11-12,19,22,26-27H,4-5,9-10,13-17H2,(H,28,29)(H,30,31)/p-2