copper(1+); ethyl prop-2-ynoate; triphenylphosphane

Systemtic Name: copper(1+); ethyl prop-2-ynoate; triphenylphosphane Openeye Name: dicuprous; ethyl prop-2-ynoate; triphenylphosphane CAS Name: copper(1+); 2-propynoic acid ethyl ester; triphenylphosphine IUPAC Name: copper(1+); ethyl prop-2-ynoate; triphenylphosphane Traditional Name: dicuprous; propiolic acid ethyl ester; triphenylphosphine Formula: C64H55Cu2O4P3 MolecularWeight: 1108.132383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#[C-].CCOC(=O)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu+].[Cu+]

Isomeric SMILES

CCOC(=O)C#[C-].CCOC(=O)C#[C-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu+].[Cu+]

InChI

InChI=1S/3C18H15P.2C5H5O2.2Cu/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-5(6)7-4-2;;/h3*1-15H;2*4H2,2H3;;/q;;;2*-1;2*+1