(2-methyl-3-phenylmethoxy-butyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-3-phenylmethoxy-butyl) 4-methylbenzenesulfonate Openeye Name: (3-benzyloxy-2-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-3-phenylmethoxybutyl) ester IUPAC Name: (2-methyl-3-phenylmethoxybutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzoxy-2-methyl-butyl) ester Formula: C19H24O4S MolecularWeight: 348.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(C)OCC2=CC=CC=C2

InChI

InChI=1S/C19H24O4S/c1-15-9-11-19(12-10-15)24(20,21)23-13-16(2)17(3)22-14-18-7-5-4-6-8-18/h4-12,16-17H,13-14H2,1-3H3