(3-methyl-2-oxidanyl-5-phenyl-pentyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-2-oxidanyl-5-phenyl-pentyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-3-methyl-5-phenyl-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-methyl-5-phenylpentyl) ester IUPAC Name: (2-hydroxy-3-methyl-5-phenylpentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-methyl-5-phenyl-pentyl) 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)CCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)CCC2=CC=CC=C2)O

InChI

InChI=1S/C19H24O4S/c1-15-8-12-18(13-9-15)24(21,22)23-14-19(20)16(2)10-11-17-6-4-3-5-7-17/h3-9,12-13,16,19-20H,10-11,14H2,1-2H3