[(2R,3S,4S)-4-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)hept-6-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S,4S)-4-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)hept-6-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S,4S)-3-benzyloxy-2-(benzyloxymethyl)-4-methyl-hept-6-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S,4S)-4-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)hept-6-enyl] ester IUPAC Name: [(2R,3S,4S)-4-methyl-3-phenylmethoxy-2-(phenylmethoxymethyl)hept-6-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S,4S)-3-benzoxy-2-(benzoxymethyl)-4-methyl-hept-6-enyl] ester Formula: C30H36O5S MolecularWeight: 508.66884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COCC2=CC=CC=C2)C(C(C)CC=C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](COCC2=CC=CC=C2)[C@H]([C@@H](C)CC=C)OCC3=CC=CC=C3

InChI

InChI=1S/C30H36O5S/c1-4-11-25(3)30(34-21-27-14-9-6-10-15-27)28(22-33-20-26-12-7-5-8-13-26)23-35-36(31,32)29-18-16-24(2)17-19-29/h4-10,12-19,25,28,30H,1,11,20-23H2,2-3H3/t25-,28+,30-/m0/s1