3-pentyl-1-phenyl-decane-1-sulfonic acid

Systemtic Name: 3-pentyl-1-phenyl-decane-1-sulfonic acid Openeye Name: 3-pentyl-1-phenyl-decane-1-sulfonic acid CAS Name: 3-pentyl-1-phenyl-1-decanesulfonic acid IUPAC Name: 3-pentyl-1-phenyldecane-1-sulfonic acid Traditional Name: 3-amyl-1-phenyl-decane-1-sulfonic acid Formula: C21H36O3S MolecularWeight: 368.57374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC)CC(C1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(CCCCC)CC(C1=CC=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C21H36O3S/c1-3-5-7-8-11-15-19(14-10-6-4-2)18-21(25(22,23)24)20-16-12-9-13-17-20/h9,12-13,16-17,19,21H,3-8,10-11,14-15,18H2,1-2H3,(H,22,23,24)