octyl 2-chloranylbenzenesulfonate

Systemtic Name: octyl 2-chloranylbenzenesulfonate Openeye Name: octyl 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid octyl ester IUPAC Name: octyl 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid octyl ester Formula: C14H21ClO3S MolecularWeight: 304.83274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CCCCCCCCOS(=O)(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C14H21ClO3S/c1-2-3-4-5-6-9-12-18-19(16,17)14-11-8-7-10-13(14)15/h7-8,10-11H,2-6,9,12H2,1H3