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tricalcium 2-nonylphenolate disulfide

tricalcium 2-nonylphenolate disulfide

Systemtic Name:tricalcium 2-nonylphenolate disulfide
Openeye Name:tricalcium 2-nonylphenolate disulfide
CAS Name:tricalcium 2-nonylphenolate disulfide
IUPAC Name:tricalcium 2-nonylphenolate disulfide
Traditional Name:tricalcium 2-nonylphenolate disulfide
Formula: C30H46Ca3O2S2
MolecularWeight: 623.04904
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCC1=CC=CC=C1[O-].[S-2].[S-2].[Ca+2].[Ca+2].[Ca+2]


Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCC1=CC=CC=C1[O-].[S-2].[S-2].[Ca+2].[Ca+2].[Ca+2]


InChI

InChI=1S/2C15H24O.3Ca.2S/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;;;;;/h2*9-10,12-13,16H,2-8,11H2,1H3;;;;;/q;;3*+2;2*-2/p-2


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