sodium 2-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonate

Systemtic Name: sodium 2-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonate Openeye Name: sodium 2-(2-chloro-2-ethyl-hexanoyl)oxybenzenesulfonate CAS Name: sodium 2-(2-chloro-2-ethyl-1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 2-(2-chloro-2-ethylhexanoyl)oxybenzenesulfonate Traditional Name: sodium 2-(2-chloro-2-ethyl-hexanoyl)oxybesylate Formula: C14H18ClNaO5S MolecularWeight: 356.79749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCCCC(CC)(C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C14H19ClO5S.Na/c1-3-5-10-14(15,4-2)13(16)20-11-8-6-7-9-12(11)21(17,18)19;/h6-9H,3-5,10H2,1-2H3,(H,17,18,19);/q;+1/p-1