[(2R,3R)-2-(4-methoxy-2-methyl-phenyl)heptan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2-(4-methoxy-2-methyl-phenyl)heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(1R)-1-(4-methoxy-2-methyl-phenyl)ethyl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-(4-methoxy-2-methylphenyl)heptan-3-yl] ester IUPAC Name: [(2R,3R)-2-(4-methoxy-2-methylphenyl)heptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(1R)-1-(4-methoxy-2-methyl-phenyl)ethyl]pentyl] ester Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C1=C(C=C(C=C1)OC)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC[C@H]([C@H](C)C1=C(C=C(C=C1)OC)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H30O4S/c1-6-7-8-22(18(4)21-14-11-19(25-5)15-17(21)3)26-27(23,24)20-12-9-16(2)10-13-20/h9-15,18,22H,6-8H2,1-5H3/t18-,22-/m1/s1