[3-[(E)-oct-1-enyl]phenyl] propane-1-sulfonate

Systemtic Name: [3-[(E)-oct-1-enyl]phenyl] propane-1-sulfonate Openeye Name: [3-[(E)-oct-1-enyl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-[(E)-oct-1-enyl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [3-[(E)-oct-1-enyl]phenyl] ester Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=CC(=CC=C1)OS(=O)(=O)CCC

Isomeric SMILES

CCCCCC/C=C/C1=CC(=CC=C1)OS(=O)(=O)CCC

InChI

InChI=1S/C17H26O3S/c1-3-5-6-7-8-9-11-16-12-10-13-17(15-16)20-21(18,19)14-4-2/h9-13,15H,3-8,14H2,1-2H3/b11-9+