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

Systemtic Name: 3-[3-[(E)-oct-1-enyl]phenyl]propane-1-sulfonate Openeye Name: 3-[3-[(E)-oct-1-enyl]phenyl]propane-1-sulfonate CAS Name: 3-[3-[(E)-oct-1-enyl]phenyl]-1-propanesulfonate IUPAC Name: 3-[3-[(E)-oct-1-enyl]phenyl]propane-1-sulfonate Traditional Name: 3-[3-[(E)-oct-1-enyl]phenyl]propane-1-sulfonate Formula: C17H25O3S- MolecularWeight: 309.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=CC(=CC=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCC/C=C/C1=CC(=CC=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C17H26O3S/c1-2-3-4-5-6-7-10-16-11-8-12-17(15-16)13-9-14-21(18,19)20/h7-8,10-12,15H,2-6,9,13-14H2,1H3,(H,18,19,20)/p-1/b10-7+