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 4 results

Search term: MHMLZKBLIXNKLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3012518

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C36H60O10/c1-18(14-20(38)29(43)32(4,5)44)19-8-13-36-17-35(19,36)12-9-22-33(6)11-10-24(39)31(2,3)23(33)15-25(34(22,36)7)46-30-28(42)27(41)26(40)21(16-37)45-30/h18-23,25-30,37-38,40-44H,8-17H2,1-7H3
C36H60O10652.8555999999983200
5144335

3 of 16 defined stereocentres - 3/16 defined
InChI=1/C36H60O10/c1-18(14-20(38)29(43)32(4,5)44)19-8-13-36-17-35(19,36)12-9-22-33(6)11-10-24(39)31(2,3)23(33)15-25(34(22,36)7)46-30-28(42)27(41)26(40)21(16-37)45-30/h18-23,25-30,37-38,40-44H,8-17H2,1-7H3/t18-,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,33-,34+,35?,36?/m1/s1
C36H60O10652.85562100
8898274

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H60O10/c1-18(14-20(38)29(43)32(4,5)44)19-8-13-36-17-35(19,36)12-9-22-33(6)11-10-24(39)31(2,3)23(33)15-25(34(22,36)7)46-30-28(42)27(41)26(40)21(16-37)45-30/h18-23,25-30,37-38,40-44H,8-17H2,1-7H3/t18-,19-,20+,21+,22+,23-,25+,26+,27-,28+,29-,30-,33+,34-,35+,36+/m0/s1
C36H60O10652.85562100
10143480

3 of 16 defined stereocentres - 3/16 defined
InChI=1/C36H60O10/c1-18(14-20(38)29(43)32(4,5)44)19-8-13-36-17-35(19,36)12-9-22-33(6)11-10-24(39)31(2,3)23(33)15-25(34(22,36)7)46-30-28(42)27(41)26(40)21(16-37)45-30/h18-23,25-30,37-38,40-44H,8-17H2,1-7H3/t18-,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,33+,34-,35?,36?/m0/s1
C36H60O10652.85562200

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