tricalcium 2-dodecylphenolate disulfide

Systemtic Name: tricalcium 2-dodecylphenolate disulfide Openeye Name: tricalcium 2-dodecylphenolate disulfide CAS Name: tricalcium 2-dodecylphenolate disulfide IUPAC Name: tricalcium 2-dodecylphenolate disulfide Traditional Name: tricalcium 2-laurylphenolate disulfide Formula: C36H58Ca3O2S2 MolecularWeight: 707.20852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCCCCC1=CC=CC=C1[O-].[S-2].[S-2].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCCCCC1=CC=CC=C1[O-].[S-2].[S-2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C18H30O.3Ca.2S/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;;;;;/h2*12-13,15-16,19H,2-11,14H2,1H3;;;;;/q;;3*+2;2*-2/p-2