chloranylpalladium(1+); ethanenitrile; methyl (2S)-2-azanyl-3-(2H-indol-2-id-3-yl)propanoate

Systemtic Name: chloranylpalladium(1+); ethanenitrile; methyl (2S)-2-azanyl-3-(2H-indol-2-id-3-yl)propanoate Openeye Name: acetonitrile; chloropalladium(1+); methyl (2S)-2-amino-3-(2H-indol-2-id-3-yl)propanoate CAS Name: acetonitrile; (2S)-2-amino-3-(2H-indol-2-id-3-yl)propanoic acid methyl ester; chloropalladium(1+) IUPAC Name: acetonitrile; chloropalladium(1+); methyl (2S)-2-amino-3-(2H-indol-2-id-3-yl)propanoate Traditional Name: acetonitrile; (2S)-2-amino-3-(2H-indol-2-id-3-yl)propionic acid methyl ester; chloropalladium(1+) Formula: C28H32Cl2N6O4Pd2 MolecularWeight: 800.33748

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.COC(=O)C(CC1=C2C=CC=CC2=N[CH-]1)N.COC(=O)C(CC1=C2C=CC=CC2=N[CH-]1)N.Cl[Pd+].Cl[Pd+]

Isomeric SMILES

CC#N.CC#N.COC(=O)[C@H](CC1=C2C=CC=CC2=N[CH-]1)N.COC(=O)[C@H](CC1=C2C=CC=CC2=N[CH-]1)N.Cl[Pd+].Cl[Pd+]

InChI

InChI=1S/2C12H13N2O2.2C2H3N.2ClH.2Pd/c2*1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11;2*1-2-3;;;;/h2*2-5,7,10H,6,13H2,1H3;2*1H3;2*1H;;/q2*-1;;;;;2*+2/p-2/t2*10-;;;;;;/m00....../s1