sulfo (2Z)-2-(chloranylmethylidene)hexanoate

Systemtic Name: sulfo (2Z)-2-(chloranylmethylidene)hexanoate Openeye Name: sulfo (2Z)-2-(chloromethylene)hexanoate CAS Name: (2Z)-2-(chloromethylidene)hexanoic acid sulfo ester IUPAC Name: sulfo (2Z)-2-(chloromethylidene)hexanoate Traditional Name: (Z)-2-butyl-3-chloro-acrylic acid sulfo ester Formula: C7H11ClO5S MolecularWeight: 242.67724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CCl)C(=O)OS(=O)(=O)O

Isomeric SMILES

CCCC/C(=C/Cl)/C(=O)OS(=O)(=O)O

InChI

InChI=1S/C7H11ClO5S/c1-2-3-4-6(5-8)7(9)13-14(10,11)12/h5H,2-4H2,1H3,(H,10,11,12)/b6-5-