chloranylmethanone; ruthenium(2+); tris(4-butylphenyl)phosphane

Systemtic Name: chloranylmethanone; ruthenium(2+); tris(4-butylphenyl)phosphane Openeye Name: chloromethanone; ruthenium(2+); tris(4-butylphenyl)phosphane CAS Name: chloromethanone; ruthenium(2+); tris(4-butylphenyl)phosphine IUPAC Name: chloromethanone; ruthenium(2+); tris(4-butylphenyl)phosphane Traditional Name: chloromethanone; ruthenium(2+); tris(4-butylphenyl)phosphine Formula: C91H117ClOP3Ru+ MolecularWeight: 1456.346363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)P(C2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)CCCC.CCCCC1=CC=C(C=C1)P(C2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)CCCC.CCCCC1=CC=C(C=C1)P(C2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)CCCC.[C-](=O)Cl.[Ru+2]

Isomeric SMILES

CCCCC1=CC=C(C=C1)P(C2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)CCCC.CCCCC1=CC=C(C=C1)P(C2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)CCCC.CCCCC1=CC=C(C=C1)P(C2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)CCCC.[C-](=O)Cl.[Ru+2]

InChI

InChI=1S/3C30H39P.CClO.Ru/c3*1-4-7-10-25-13-19-28(20-14-25)31(29-21-15-26(16-22-29)11-8-5-2)30-23-17-27(18-24-30)12-9-6-3;2-1-3;/h3*13-24H,4-12H2,1-3H3;;/q;;;-1;+2