[(1S)-6-methyl-1-[(2S)-oxolan-2-yl]heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-6-methyl-1-[(2S)-oxolan-2-yl]heptyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-6-methyl-1-[(2S)-tetrahydrofuran-2-yl]heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-6-methyl-1-[(2S)-2-oxolanyl]heptyl] ester IUPAC Name: [(1S)-6-methyl-1-[(2S)-oxolan-2-yl]heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-6-methyl-1-[(2S)-tetrahydrofuran-2-yl]heptyl] ester Formula: C19H30O4S MolecularWeight: 354.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCC(C)C)C2CCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CCCCC(C)C)[C@@H]2CCCO2

InChI

InChI=1S/C19H30O4S/c1-15(2)7-4-5-8-19(18-9-6-14-22-18)23-24(20,21)17-12-10-16(3)11-13-17/h10-13,15,18-19H,4-9,14H2,1-3H3/t18-,19-/m0/s1