butane; 4-(phenylmethylidene)cyclopentane-1,2-dicarboxylate; triphenyl-(phenylmethyl)phosphanium; chloride

Systemtic Name: butane; 4-(phenylmethylidene)cyclopentane-1,2-dicarboxylate; triphenyl-(phenylmethyl)phosphanium; chloride Openeye Name: 4-benzylidenecyclopentane-1,2-dicarboxylate; benzyl(triphenyl)phosphonium; butane; chloride CAS Name: butane; 4-(phenylmethylene)cyclopentane-1,2-dicarboxylate; triphenyl-(phenylmethyl)phosphonium; chloride IUPAC Name: 4-benzylidenecyclopentane-1,2-dicarboxylate; benzyl(triphenyl)phosphanium; butane; chloride Traditional Name: 4-benzalcyclopentane-1,2-dicarboxylate; benzyl(triphenyl)phosphonium; n-butane; chloride Formula: C43H44ClO4P-2 MolecularWeight: 691.233821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1C(C(CC1=CC2=CC=CC=C2)C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCC.C1C(C(CC1=CC2=CC=CC=C2)C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H22P.C14H14O4.C4H10.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;15-13(16)11-7-10(8-12(11)14(17)18)6-9-4-2-1-3-5-9;1-3-4-2;/h1-20H,21H2;1-6,11-12H,7-8H2,(H,15,16)(H,17,18);3-4H2,1-2H3;1H/q+1;;;/p-3