calcium 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanidyl-pyridin-3-yl]methyldisulfanyl]methyl]-2-methyl-pyridin-3-olate

Systemtic Name: calcium 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanidyl-pyridin-3-yl]methyldisulfanyl]methyl]-2-methyl-pyridin-3-olate Openeye Name: calcium 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxido-3-pyridyl]methyldisulfanyl]methyl]-2-methyl-pyridin-3-olate CAS Name: calcium 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxido-3-pyridinyl]methyldisulfanyl]methyl]-2-methyl-3-pyridinolate IUPAC Name: calcium 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidopyridin-3-yl]methyldisulfanyl]methyl]-2-methylpyridin-3-olate Traditional Name: calcium 2-methyl-5-[[(6-methyl-4-methylol-5-oxido-3-pyridyl)methyldisulfanyl]methyl]-4-methylol-pyridin-3-olate Formula: C16H18CaN2O4S2 MolecularWeight: 406.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1[O-])CO)CSSCC2=CN=C(C(=C2CO)[O-])C.[Ca+2]

Isomeric SMILES

CC1=NC=C(C(=C1[O-])CO)CSSCC2=CN=C(C(=C2CO)[O-])C.[Ca+2]

InChI

InChI=1S/C16H20N2O4S2.Ca/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;/h3-4,19-22H,5-8H2,1-2H3;/q;+2/p-2