Results for:
PubChem ID: 609560

Dimethyl 5-(4-methoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate

Compound Details

Synonymous names
Maybridge4_001803
Oprea1_014694
Oprea1_248093
SEOMFGCOXRQQMR-UHFFFAOYSA-N
HMS1526B21
AKOS001593385
CCG-238544
NCGC00177242-01
BRD-A56391917-001-01-3
Dimethyl 5-(4-methoxyphenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide
Dimethyl 5-(4-methoxyphenyl)-1,3-dithiane-4,6-dicarboxylate 1,1,3,3-tetraoxide #
1,3-Dithiane-4,6-dicarboxylic acid, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide, dimethyl ester
Microorganism:

No

IUPAC namedimethyl 5-(4-methoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
SMILESCOC1=CC=C(C=C1)C2C(S(=O)(=O)CS(=O)(=O)C2C(=O)OC)C(=O)OC
InchiInChI=1S/C15H18O9S2/c1-22-10-6-4-9(5-7-10)11-12(14(16)23-2)25(18,19)8-26(20,21)13(11)15(17)24-3/h4-7,11-13H,8H2,1-3H3
FormulaC15H18O9S2
PubChem ID609560
Molweight406.4
LogP0.5
Atoms26
Bonds6
H-bond Acceptor9
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters ethers heterocyclic compounds sulfonyls sulfur compounds
Supernatural-IDSN0343355

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno