butane; 4-ethylidenecyclopentane-1,2-dicarboxylate; ethyl(triphenyl)phosphanium; bromide

Systemtic Name: butane; 4-ethylidenecyclopentane-1,2-dicarboxylate; ethyl(triphenyl)phosphanium; bromide Openeye Name: butane; 4-ethylidenecyclopentane-1,2-dicarboxylate; ethyl(triphenyl)phosphonium; bromide CAS Name: butane; 4-ethylidenecyclopentane-1,2-dicarboxylate; ethyl(triphenyl)phosphonium; bromide IUPAC Name: butane; 4-ethylidenecyclopentane-1,2-dicarboxylate; ethyl(triphenyl)phosphanium; bromide Traditional Name: 4-ethylidenecyclopentane-1,2-dicarboxylate; ethyl(triphenyl)phosphonium; n-butane; bromide Formula: C33H40BrO4P-2 MolecularWeight: 611.546061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC=C1CC(C(C1)C(=O)[O-])C(=O)[O-].[Br-]

Isomeric SMILES

CCCC.CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC=C1CC(C(C1)C(=O)[O-])C(=O)[O-].[Br-]

InChI

InChI=1S/C20H20P.C9H12O4.C4H10.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-5-3-6(8(10)11)7(4-5)9(12)13;1-3-4-2;/h3-17H,2H2,1H3;2,6-7H,3-4H2,1H3,(H,10,11)(H,12,13);3-4H2,1-2H3;1H/q+1;;;/p-3