[(2R)-3-methyl-2-[(S)-(3-methylfuran-2-yl)-oxidanyl-methyl]but-3-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-methyl-2-[(S)-(3-methylfuran-2-yl)-oxidanyl-methyl]but-3-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[(S)-hydroxy-(3-methyl-2-furyl)methyl]-3-methyl-but-3-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[(S)-hydroxy-(3-methyl-2-furanyl)methyl]-3-methylbut-3-enyl] ester IUPAC Name: [(2R)-2-[(S)-hydroxy-(3-methylfuran-2-yl)methyl]-3-methylbut-3-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[(S)-hydroxy-(3-methyl-2-furyl)methyl]-3-methyl-but-3-enyl] ester Formula: C18H22O5S MolecularWeight: 350.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C2=C(C=CO2)C)O)C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]([C@@H](C2=C(C=CO2)C)O)C(=C)C

InChI

InChI=1S/C18H22O5S/c1-12(2)16(17(19)18-14(4)9-10-22-18)11-23-24(20,21)15-7-5-13(3)6-8-15/h5-10,16-17,19H,1,11H2,2-4H3/t16-,17-/m0/s1