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 49 results

Search term: ZHUOOEGSSFNTNP (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
199664

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
C25H42O4406.5986393500
86301

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3
C25H42O4406.5986131800
17466922

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20?,21?,22+,24+,25-/m1/s1
C25H42O4406.59868400
10050432

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
C25H42O4406.59867400
57530425

8 of 10 defined stereocentres - 8/10 defined

Non-standard isotope
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18?,19-,20+,21?,22+,24+,25-/m1/s1/i11D2,13D2,17D
C25H37D5O4411.62947800
4453586

2 of 10 defined stereocentres - 2/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15?,16?,17-,18?,19?,20?,21?,22+,24?,25?/m1/s1
C25H42O4406.5985800000016300
5142815

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15?,16?,17-,18?,19?,20?,21?,22+,24+,25-/m1/s1
C25H42O4406.59864300
21499836

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16?,17-,18?,19?,20?,21?,22+,24?,25?/m1/s1
C25H42O4406.59864200
21781530

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16?,17-,18?,19-,20?,21+,22+,24?,25?/m1/s1
C25H42O4406.59864300
68026350

8 of 10 defined stereocentres - 8/10 defined

Non-standard isotope
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18?,19-,20+,21?,22+,24+,25-/m1/s1/i17D
C25H41DO4407.60473200
17600668

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15?,16-,17-,18?,19?,20?,21?,22+,24+,25-/m1/s1
C25H42O4406.59863200
5442187

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21-,22+,24+,25-/m1/s1
C25H42O4406.59862100
5466148

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21-,22+,24+,25-/m1/s1
C25H42O4406.59862100
9102887

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16?,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
C25H42O4406.59862100
10050431

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22+,24+,25-/m1/s1
C25H42O4406.59862100
1065581

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22+,24-,25-/m1/s1
C25H42O4406.59862100
1413398

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20+,21-,22-,24+,25-/m1/s1
C25H42O4406.59862100
1413399

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20-,21-,22-,24+,25-/m1/s1
C25H42O4406.59862100
1413400

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20+,21+,22-,24+,25-/m1/s1
C25H42O4406.59862100
1413401

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20-,21+,22-,24+,25-/m1/s1
C25H42O4406.59862100
123

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