3-[3-(methoxymethoxy)-5-phenylmethoxy-3-bicyclo[3.3.1]nonanyl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[3-(methoxymethoxy)-5-phenylmethoxy-3-bicyclo[3.3.1]nonanyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[5-benzyloxy-3-(methoxymethoxy)-3-bicyclo[3.3.1]nonanyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[3-(methoxymethoxy)-5-phenylmethoxy-3-bicyclo[3.3.1]nonanyl]propyl ester IUPAC Name: 3-[3-(methoxymethoxy)-5-phenylmethoxy-3-bicyclo[3.3.1]nonanyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[5-benzoxy-3-(methoxymethoxy)-3-bicyclo[3.3.1]nonanyl]propyl ester Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(CC3CCCC(C3)(C2)OCC4=CC=CC=C4)OCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2(CC3CCCC(C3)(C2)OCC4=CC=CC=C4)OCOC

InChI

InChI=1S/C28H38O6S/c1-23-11-13-26(14-12-23)35(29,30)34-17-7-16-28(33-22-31-2)19-25-10-6-15-27(18-25,21-28)32-20-24-8-4-3-5-9-24/h3-5,8-9,11-14,25H,6-7,10,15-22H2,1-2H3