sodium 3,4-dipropylbenzenesulfonate

Systemtic Name: sodium 3,4-dipropylbenzenesulfonate Openeye Name: sodium 3,4-dipropylbenzenesulfonate CAS Name: sodium 3,4-dipropylbenzenesulfonate IUPAC Name: sodium 3,4-dipropylbenzenesulfonate Traditional Name: sodium 3,4-dipropylbesylate Formula: C12H17NaO3S MolecularWeight: 264.31635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)S(=O)(=O)[O-])CCC.[Na+]

Isomeric SMILES

CCCC1=C(C=C(C=C1)S(=O)(=O)[O-])CCC.[Na+]

InChI

InChI=1S/C12H18O3S.Na/c1-3-5-10-7-8-12(16(13,14)15)9-11(10)6-4-2;/h7-9H,3-6H2,1-2H3,(H,13,14,15);/q;+1/p-1