Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 6 results

Search term: XHKFBADIZIDYBU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
61935

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/b21-12+/t13?,14-,15+,17-/m1/s1
C20H31N3O6S441.5416192100
18519842

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/t13?,14-,15+,17-/m1/s1
C20H31N3O6S441.54165300
4416270

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/p+1
C20H32N3O6S442.549582100
59008657

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/b21-12+/t13?,14?,15-,17+/m0/s1
C20H31N3O6S441.54162200
34988263

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/b21-12+/t13-,14+,15-,17+/m0/s1
C20H31N3O6S441.54161100
34988264

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/b21-12+/t13-,14-,15+,17-/m1/s1
C20H31N3O6S441.54161100

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