cyclopentane; 4-methylbenzenethiolate; nickel(2+); triphenylphosphane

Systemtic Name: cyclopentane; 4-methylbenzenethiolate; nickel(2+); triphenylphosphane Openeye Name: nickelous; cyclopentane; 4-methylbenzenethiolate; triphenylphosphane CAS Name: cyclopentane; 4-methylbenzenethiolate; nickel(2+); triphenylphosphine IUPAC Name: cyclopentane; 4-methylbenzenethiolate; nickel(2+); triphenylphosphane Traditional Name: nickelous; cyclopentane; 4-methylbenzenethiolate; triphenylphosphine Formula: C30H27NiPS+ MolecularWeight: 509.267541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)[S-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Ni+2]

InChI

InChI=1S/C18H15P.C7H8S.C5H5.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-2-4-7(8)5-3-6;1-2-4-5-3-1;/h1-15H;2-5,8H,1H3;1-5H;/q;;;+2/p-1