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 20 results

Search term: BDHQMRXFDYJGII (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85017

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
C31H52O440.7443912500
473663

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3
C31H52O440.744202200
7826153

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25?,26+,28-,29+,30-,31+/m1/s1
C31H52O440.7443300
8130535

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23?,24-,25-,26?,28?,29-,30?,31?/m0/s1
C31H52O440.7442100
9692607

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24?,25+,26?,28-,29+,30-,31?/m1/s1
C31H52O440.7442100
9793832

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26?,28-,29+,30?,31?/m1/s1
C31H52O440.7442100
4438028

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23-,24+,25+,26+,28-,29+,30?,31?/m1/s1
C31H52O440.7439800000012200
4477875

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
C31H52O440.7442200
23202404

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23?,24?,25?,26?,28?,29-,30?,31?/m0/s1
C31H52O440.7442200
34500799

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26?,28-,29+,30-,31+/m1/s1
C31H52O440.7442100
58837773

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30?,31?/m1/s1
C31H52O440.7442200
78443770

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23-,24?,25?,26+,28-,29+,30-,31+/m1/s1
C31H52O440.7441100
95532345

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22?,23-,24+,25+,26?,28-,29+,30-,31+/m1/s1
C31H52O440.7441100
113611963

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23+,24+,25+,26+,28-,29+,30+,31+/m1/s1
C31H52O440.7441100
114816140

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25-,26+,28+,29+,30+,31+/m1/s1
C31H52O440.7441100
115015398

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23?,24+,25+,26+,28-,29+,30-,31?/m1/s1
C31H52O440.7441100
17611982

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23?,24?,25+,26?,28-,29+,30?,31?/m1/s1
C31H52O440.7441100

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