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 28 results

Search term: GRQROVWZGGDYSW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9244685

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H42O4406.5986363200
7977227

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
C25H42O4406.5986262800
549437

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3
C25H42O4406.598691100
18527400

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16?,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H42O4406.59868800
92461

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17?,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H42O4406.59865400
166026

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,23+,24+,25-/m1/s1
C25H42O4406.59865400
20056087

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H42O4406.59864500
21499837

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16?,17-,18?,19?,20?,21-,23?,24?,25?/m1/s1
C25H42O4406.59864200
23976318

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23?,24+,25-/m1/s1
C25H42O4406.59864300
68026447

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1/i17D
C25H41DO4407.60473300
20056086

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H42O4406.59863300
10295389

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H42O4406.59862200
10295390

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,23+,24+,25-/m1/s1
C25H42O4406.59862200
8629452

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15?,16?,17-,18?,19?,20?,21+,23?,24+,25-/m1/s1
C25H42O4406.59862100
9212153

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1/i13+1,17+1
C2313C2H42O4408.58392200
62459674

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20-,21+,23+,24-,25+/m1/s1
C25H42O4406.59862200
62459686

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21+,23-,24-,25+/m0/s1
C25H42O4406.59862200
114393902

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,23-,24-,25+/m1/s1
C25H42O4406.59861100
128947515

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20-,21-,23+,24+,25-/m1/s1
C25H42O4406.59861100
12

Advertisement