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

Systemtic Name: 3-[4-[7-(4-methoxyphenyl)-9,9-dipropyl-fluoren-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[7-(4-methoxyphenyl)-9,9-dipropyl-fluoren-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[7-(4-methoxyphenyl)-9,9-dipropyl-2-fluorenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[7-(4-methoxyphenyl)-9,9-dipropylfluoren-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[7-(4-methoxyphenyl)-9,9-dipropyl-fluoren-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C34H37NO4S MolecularWeight: 555.72688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)OC)C4=C1C=C(C=C4)C5=CC=[N+](C=C5)CCCS(=O)(=O)[O-])CCC

Isomeric SMILES

CCCC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)OC)C4=C1C=C(C=C4)C5=CC=[N+](C=C5)CCCS(=O)(=O)[O-])CCC

InChI

InChI=1S/C34H37NO4S/c1-4-17-34(18-5-2)32-23-27(25-7-11-29(39-3)12-8-25)9-13-30(32)31-14-10-28(24-33(31)34)26-15-20-35(21-16-26)19-6-22-40(36,37)38/h7-16,20-21,23-24H,4-6,17-19,22H2,1-3H3