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: UGMDQWNVJMIQKD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8137988

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35+,38+,39+,40+,41-/m0/s1
C41H70O14786.986110900
88297993

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20-,21+,22+,23+,24+,25+,26-,27-,28-,29+,30-,31+,32+,33?,34-,35+,38+,39+,40+,41-/m0/s1
C41H70O14786.98614300
58132204

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,38-,39-,40-,41+/m1/s1
C41H70O14786.98612200
10142518

9 of 21 defined stereocentres - 9/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19?,20?,21-,22?,23-,24?,25?,26?,27?,28-,29-,30-,31-,32-,33?,34+,35-,38?,39?,40?,41?/m1/s1
C41H70O14786.98612200
10264343

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35+,38+,39+,40+,41-/m0/s1
C41H70O14786.98611100
21249224

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20-,21+,22+,23+,24+,25?,26-,27+,28-,29+,30-,31+,32+,33-,34-,35+,38+,39-,40-,41-/m0/s1
C41H70O14786.98611100
128922177

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,25-,26?,27-,28-,29+,30-,31+,32+,33-,34-,35+,38+,39+,40+,41-/m0/s1
C41H70O14786.98611100

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