3-(4-heptoxyphenyl)propane-1-sulfonate

Systemtic Name: 3-(4-heptoxyphenyl)propane-1-sulfonate Openeye Name: 3-(4-heptoxyphenyl)propane-1-sulfonate CAS Name: 3-(4-heptoxyphenyl)-1-propanesulfonate IUPAC Name: 3-(4-heptoxyphenyl)propane-1-sulfonate Traditional Name: 3-(4-heptoxyphenyl)propane-1-sulfonate Formula: C16H25O4S- MolecularWeight: 313.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H26O4S/c1-2-3-4-5-6-13-20-16-11-9-15(10-12-16)8-7-14-21(17,18)19/h9-12H,2-8,13-14H2,1H3,(H,17,18,19)/p-1