tetramethyl (6bR,10aR)-10a-pyrrolidin-1-ium-1-yl-6bH-fluoranthene-7,8,9,10-tetracarboxylate

Systemtic Name: tetramethyl (6bR,10aR)-10a-pyrrolidin-1-ium-1-yl-6bH-fluoranthene-7,8,9,10-tetracarboxylate Openeye Name: tetramethyl (6bR,10aR)-10a-pyrrolidin-1-ium-1-yl-6bH-fluoranthene-7,8,9,10-tetracarboxylate CAS Name: (6bR,10aR)-10a-(1-pyrrolidin-1-iumyl)-6bH-fluoranthene-7,8,9,10-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl (6bR,10aR)-10a-pyrrolidin-1-ium-1-yl-6bH-fluoranthene-7,8,9,10-tetracarboxylate Traditional Name: (6bR,10aR)-10a-pyrrolidin-1-ium-1-yl-6bH-fluoranthene-7,8,9,10-tetracarboxylic acid tetramethyl ester Formula: C28H28NO8+ MolecularWeight: 506.52382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C2(C1C3=CC=CC4=C3C2=CC=C4)[NH+]5CCCC5)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=C([C@]2([C@@H]1C3=CC=CC4=C3C2=CC=C4)[NH+]5CCCC5)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C28H27NO8/c1-34-24(30)19-20(25(31)35-2)22-16-11-7-9-15-10-8-12-17(18(15)16)28(22,29-13-5-6-14-29)23(27(33)37-4)21(19)26(32)36-3/h7-12,22H,5-6,13-14H2,1-4H3/p+1/t22-,28+/m1/s1