[(2R,3R)-3-[(3S)-2-methyl-5-phenylmethoxy-pent-1-en-3-yl]oxy-2-oxidanyl-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-3-[(3S)-2-methyl-5-phenylmethoxy-pent-1-en-3-yl]oxy-2-oxidanyl-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-4-benzyloxy-3-[(1S)-1-(2-benzyloxyethyl)-2-methyl-allyloxy]-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2-hydroxy-3-[(3S)-2-methyl-5-phenylmethoxypent-1-en-3-yl]oxy-4-phenylmethoxybutyl] ester IUPAC Name: [(2R,3R)-2-hydroxy-3-[(3S)-2-methyl-5-phenylmethoxypent-1-en-3-yl]oxy-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-4-benzoxy-3-[(1S)-1-(2-benzoxyethyl)-2-methyl-allyloxy]-2-hydroxy-butyl] ester Formula: C31H38O7S MolecularWeight: 554.69422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COCC2=CC=CC=C2)OC(CCOCC3=CC=CC=C3)C(=C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H](COCC2=CC=CC=C2)O[C@@H](CCOCC3=CC=CC=C3)C(=C)C)O

InChI

InChI=1S/C31H38O7S/c1-24(2)30(18-19-35-20-26-10-6-4-7-11-26)38-31(23-36-21-27-12-8-5-9-13-27)29(32)22-37-39(33,34)28-16-14-25(3)15-17-28/h4-17,29-32H,1,18-23H2,2-3H3/t29-,30+,31-/m1/s1