(3-methyl-1-phenyl-butan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-1-phenyl-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-benzyl-2-methyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-1-phenylbutan-2-yl) ester IUPAC Name: (3-methyl-1-phenylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-2-methyl-propyl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C18H22O3S/c1-14(2)18(13-16-7-5-4-6-8-16)21-22(19,20)17-11-9-15(3)10-12-17/h4-12,14,18H,13H2,1-3H3