chromium(3+); (E)-octadec-9-enoate; trichloride

Systemtic Name: chromium(3+); (E)-octadec-9-enoate; trichloride Openeye Name: dichromic (E)-octadec-9-enoate trichloride CAS Name: chromium(3+); (E)-9-octadecenoate; trichloride IUPAC Name: chromium(3+); (E)-octadec-9-enoate; trichloride Traditional Name: dichromic (E)-octadec-9-enoate trichloride Formula: C54H99Cl3Cr2O6 MolecularWeight: 1054.71146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Cl-].[Cl-].[Cl-].[Cr+3].[Cr+3]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].[Cl-].[Cl-].[Cl-].[Cr+3].[Cr+3]

InChI

InChI=1S/3C18H34O2.3ClH.2Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);3*1H;;/q;;;;;;2*+3/p-6/b3*10-9+;;;;;