[(2S)-2-[[3-(hydroxymethyl)furan-2-yl]methyl]-3-methyl-but-3-enyl] 4-methylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=C(C=CO2)CO)C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CC2=C(C=CO2)CO)C(=C)C

InChI

InChI=1S/C18H22O5S/c1-13(2)16(10-18-15(11-19)8-9-22-18)12-23-24(20,21)17-6-4-14(3)5-7-17/h4-9,16,19H,1,10-12H2,2-3H3/t16-/m1/s1