(2-methyl-1-phenylmethoxy-butyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-1-phenylmethoxy-butyl) 4-methylbenzenesulfonate Openeye Name: (1-benzyloxy-2-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-1-phenylmethoxybutyl) ester IUPAC Name: (2-methyl-1-phenylmethoxybutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzoxy-2-methyl-butyl) ester Formula: C19H24O4S MolecularWeight: 348.45646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(OCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C(OCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H24O4S/c1-4-16(3)19(22-14-17-8-6-5-7-9-17)23-24(20,21)18-12-10-15(2)11-13-18/h5-13,16,19H,4,14H2,1-3H3