[(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-methyl-2-oxidanyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-methyl-2-oxidanyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]-4-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]-4-methylpentyl] ester IUPAC Name: [(2S,3R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]-4-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-2-hydroxy-4-methyl-3-p-anisyloxy-pentyl] ester Formula: C21H28O6S MolecularWeight: 408.50842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]([C@@H](C(C)C)OCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C21H28O6S/c1-15(2)21(26-13-17-7-9-18(25-4)10-8-17)20(22)14-27-28(23,24)19-11-5-16(3)6-12-19/h5-12,15,20-22H,13-14H2,1-4H3/t20-,21+/m0/s1