tert-butyl 4-(3-phenylpropoxysulfonylmethyl)benzoate

Systemtic Name: tert-butyl 4-(3-phenylpropoxysulfonylmethyl)benzoate Openeye Name: tert-butyl 4-(3-phenylpropoxysulfonylmethyl)benzoate CAS Name: 4-(3-phenylpropoxysulfonylmethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-phenylpropoxysulfonylmethyl)benzoate Traditional Name: 4-(3-phenylpropoxysulfonylmethyl)benzoic acid tert-butyl ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H26O5S/c1-21(2,3)26-20(22)19-13-11-18(12-14-19)16-27(23,24)25-15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14H,7,10,15-16H2,1-3H3