3-[4-(9,9-dipropylfluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(9,9-dipropylfluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(9,9-dipropylfluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(9,9-dipropyl-2-fluorenyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(9,9-dipropylfluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(9,9-dipropylfluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C27H31NO3S MolecularWeight: 449.60494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=[N+](C=C4)CCCS(=O)(=O)[O-])CCC

Isomeric SMILES

CCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=[N+](C=C4)CCCS(=O)(=O)[O-])CCC

InChI

InChI=1S/C27H31NO3S/c1-3-14-27(15-4-2)25-9-6-5-8-23(25)24-11-10-22(20-26(24)27)21-12-17-28(18-13-21)16-7-19-32(29,30)31/h5-6,8-13,17-18,20H,3-4,7,14-16,19H2,1-2H3