calcium 2-dodecyl-3-(2-dodecyl-3-oxidanidyl-phenyl)sulfanyl-phenolate

Systemtic Name: calcium 2-dodecyl-3-(2-dodecyl-3-oxidanidyl-phenyl)sulfanyl-phenolate Openeye Name: calcium 2-dodecyl-3-(2-dodecyl-3-oxido-phenyl)sulfanyl-phenolate CAS Name: calcium 2-dodecyl-3-[(2-dodecyl-3-oxidophenyl)thio]phenolate IUPAC Name: calcium 2-dodecyl-3-(2-dodecyl-3-oxidophenyl)sulfanylphenolate Traditional Name: calcium 2-lauryl-3-[(2-lauryl-3-oxido-phenyl)thio]phenolate Formula: C36H56CaO2S MolecularWeight: 592.97164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC=C1SC2=CC=CC(=C2CCCCCCCCCCCC)[O-])[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC=C1SC2=CC=CC(=C2CCCCCCCCCCCC)[O-])[O-].[Ca+2]

InChI

InChI=1S/C36H58O2S.Ca/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(37)27-23-29-35(31)39-36-30-24-28-34(38)32(36)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30,37-38H,3-22,25-26H2,1-2H3;/q;+2/p-2