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 10 results

Search term: AVUFEQKMVHVFSN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28284919

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23-,25+,28+,29-,30-,31+/m1/s1
C31H52O3472.742813900
32795859

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23-,25+,28+,29+,30-,31+/m1/s1
C31H52O3472.74289400
30647235

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20?,21-,22?,23+,25?,28-,29-,30+,31-/m0/s1
C31H52O3472.74283200
34500353

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22?,23-,25?,28+,29-,30-,31+/m1/s1
C31H52O3472.74282100
113611711

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23+,25-,28-,29+,30+,31-/m0/s1
C31H52O3472.74281100
114553162

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23-,25+,28+,29-,30-,31+/m0/s1
C31H52O3472.74281100
115015389

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21?,22?,23-,25+,28+,29-,30-,31+/m1/s1
C31H52O3472.74281100

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