[(Z,2R,6S)-6-methyl-2-oxidanyl-non-7-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z,2R,6S)-6-methyl-2-oxidanyl-non-7-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z,2R,6S)-2-hydroxy-6-methyl-non-7-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z,2R,6S)-2-hydroxy-6-methylnon-7-enyl] ester IUPAC Name: [(Z,2R,6S)-2-hydroxy-6-methylnon-7-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z,2R,6S)-2-hydroxy-6-methyl-non-7-enyl] ester Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)CCCC(COS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

C/C=C\[C@@H](C)CCC[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C17H26O4S/c1-4-6-14(2)7-5-8-16(18)13-21-22(19,20)17-11-9-15(3)10-12-17/h4,6,9-12,14,16,18H,5,7-8,13H2,1-3H3/b6-4-/t14-,16-/m1/s1