2-[(4-methylphenyl)sulfonyloxymethyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylate

Systemtic Name: 2-[(4-methylphenyl)sulfonyloxymethyl]-5-(4-phenylphenyl)sulfanyl-cyclopentane-1-carboxylate Openeye Name: 2-(4-phenylphenyl)sulfanyl-5-(p-tolylsulfonyloxymethyl)cyclopentanecarboxylate CAS Name: 2-[(4-methylphenyl)sulfonyloxymethyl]-5-[(4-phenylphenyl)thio]-1-cyclopentanecarboxylate IUPAC Name: 2-[(4-methylphenyl)sulfonyloxymethyl]-5-(4-phenylphenyl)sulfanylcyclopentane-1-carboxylate Traditional Name: 2-[(4-phenylphenyl)thio]-5-(tosyloxymethyl)cyclopentanecarboxylate Formula: C26H25O5S2- MolecularWeight: 481.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(C2C(=O)[O-])SC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(C2C(=O)[O-])SC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26O5S2/c1-18-7-14-23(15-8-18)33(29,30)31-17-21-11-16-24(25(21)26(27)28)32-22-12-9-20(10-13-22)19-5-3-2-4-6-19/h2-10,12-15,21,24-25H,11,16-17H2,1H3,(H,27,28)/p-1