3,7-dimethyloct-6-enyl 4-methylbenzenesulfonate

Systemtic Name: 3,7-dimethyloct-6-enyl 4-methylbenzenesulfonate Openeye Name: 3,7-dimethyloct-6-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,7-dimethyloct-6-enyl ester IUPAC Name: 3,7-dimethyloct-6-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,7-dimethyloct-6-enyl ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)CCC=C(C)C

InChI

InChI=1S/C17H26O3S/c1-14(2)6-5-7-15(3)12-13-20-21(18,19)17-10-8-16(4)9-11-17/h6,8-11,15H,5,7,12-13H2,1-4H3