1,2,2-trimethylcyclopentane-1,3-dicarboxylate; triphenylsulfanium

Systemtic Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; triphenylsulfanium Openeye Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; triphenylsulfonium CAS Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; triphenylsulfonium IUPAC Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; triphenylsulfanium Traditional Name: 1,2,2-trimethylcyclopentane-1,3-dicarboxylate; triphenylsulfonium Formula: C46H44O4S2 MolecularWeight: 724.96916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C(=O)[O-])C.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1(C(CCC1(C)C(=O)[O-])C(=O)[O-])C.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/2C18H15S.C10H16O4/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h2*1-15H;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/q2*+1;/p-2