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 7 results

Search term: MUGYGAQKMRBEQJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16738491

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/b19-17+;/t20-,21-,22-,24+,25-;/m0./s1
C28H47N3O5S537.75496619
30817422

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/b19-17+;/t20-,21?,22?,24+,25+;/m1./s1
C28H47N3O5S537.75492200
4572922

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/b19-17+;/t20?,21?,22?,24?,25-;/m0./s1
C28H47N3O5S537.75492100
5143419

Charge

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/p+1/t20?,21?,22?,24?,25-;/m0./s1
C28H48N3O5S538.76231100
58170479

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/p-1/b19-17+;/t20-,21-,22-,24+,25-;/m0./s1
C28H46N3O5S536.74751100
2275719

Charge

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H38O5S.C3H9N3/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28;1-6(2)3(4)5/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28);1-2H3,(H3,4,5)/p+1/b19-17+;
C28H48N3O5S538.7628199999991100

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