(5,5-diphenylcyclooctyl) 4-methylbenzenesulfonate

Systemtic Name: (5,5-diphenylcyclooctyl) 4-methylbenzenesulfonate Openeye Name: (5,5-diphenylcyclooctyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5,5-diphenylcyclooctyl) ester IUPAC Name: (5,5-diphenylcyclooctyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5,5-diphenylcyclooctyl) ester Formula: C27H30O3S MolecularWeight: 434.5903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC(CCC2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC(CCC2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30O3S/c1-22-16-18-26(19-17-22)31(28,29)30-25-14-8-20-27(21-9-15-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,16-19,25H,8-9,14-15,20-21H2,1H3