[(2S,3S)-2-(phenylmethoxymethoxy)hepta-5,6-dien-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2-(phenylmethoxymethoxy)hepta-5,6-dien-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-[(1S)-1-(benzyloxymethoxy)ethyl]penta-3,4-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-(phenylmethoxymethoxy)hepta-5,6-dien-3-yl] ester IUPAC Name: [(2S,3S)-2-(phenylmethoxymethoxy)hepta-5,6-dien-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-1-[(1S)-1-(benzoxymethoxy)ethyl]penta-3,4-dienyl] ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC=C=C)C(C)OCOCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CC=C=C)[C@H](C)OCOCC2=CC=CC=C2

InChI

InChI=1S/C22H26O5S/c1-4-5-11-22(27-28(23,24)21-14-12-18(2)13-15-21)19(3)26-17-25-16-20-9-7-6-8-10-20/h5-10,12-15,19,22H,1,11,16-17H2,2-3H3/t19-,22-/m0/s1