3-[4-(7-methoxy-9,9-dipropyl-fluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-(7-methoxy-9,9-dipropyl-fluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-(7-methoxy-9,9-dipropyl-fluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-(7-methoxy-9,9-dipropyl-2-fluorenyl)-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-(7-methoxy-9,9-dipropylfluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-(7-methoxy-9,9-dipropyl-fluoren-2-yl)pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO4S/c1-4-13-28(14-5-2)26-19-22(7-9-24(26)25-10-8-23(33-3)20-27(25)28)21-11-16-29(17-12-21)15-6-18-34(30,31)32/h7-12,16-17,19-20H,4-6,13-15,18H2,1-3H3