cyclooctatetraene; 2-diphenylphosphanylethyl(diphenyl)phosphane; sulfur trioxide

Systemtic Name: cyclooctatetraene; 2-diphenylphosphanylethyl(diphenyl)phosphane; sulfur trioxide Openeye Name: cyclooctatetraene; 2-diphenylphosphanylethyl(diphenyl)phosphane; sulfur trioxide CAS Name: cyclooctatetraene; 2-diphenylphosphinoethyl(diphenyl)phosphine; sulfur trioxide IUPAC Name: cyclooctatetraene; 2-diphenylphosphanylethyl(diphenyl)phosphane; sulfur trioxide Traditional Name: cyclooctatetraene; 2-diphenylphosphinoethyl(diphenyl)phosphine; sulfur trioxide Formula: C34H31O12P2S4- MolecularWeight: 821.810262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C[C-]=CC=C1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O

Isomeric SMILES

C\1=C\C=C/[C-]=C\C=C1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O

InChI

InChI=1S/C26H24P2.C8H7.4O3S/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-6-8-7-5-3-1;4*1-4(2)3/h1-20H,21-22H2;1-7H;;;;/q;-1;;;;/b;2-1-,3-1?,4-2?,5-3-,6-4-,7-5?;;;;