[(2S,3S)-7-[(4-methoxyphenyl)methoxy]-2-methyl-3-oxidanyl-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-7-[(4-methoxyphenyl)methoxy]-2-methyl-3-oxidanyl-heptyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-methyl-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-methylheptyl] ester IUPAC Name: [(2S,3S)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-methylheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-hydroxy-2-methyl-7-p-anisyloxy-heptyl] ester Formula: C23H32O6S MolecularWeight: 436.56158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(CCCCOCC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)[C@H](CCCCOCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C23H32O6S/c1-18-7-13-22(14-8-18)30(25,26)29-16-19(2)23(24)6-4-5-15-28-17-20-9-11-21(27-3)12-10-20/h7-14,19,23-24H,4-6,15-17H2,1-3H3/t19-,23-/m0/s1