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 22 results

Search term: BWDRDVHYVJQWBO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4953925

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
C25H42O4406.5986443800
549423

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3
C25H42O4406.598691300
21587129

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21?,22+,24-,25-/m1/s1
C25H42O4406.59867600
10072173

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+,24-,25-/m1/s1
C25H42O4406.59863200
10072174

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22-,24+,25+/m0/s1
C25H42O4406.59862100
10072175

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20-,21-,22+,24-,25-/m1/s1
C25H42O4406.59862100
9135723

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22-,24+,25+/m0/s1
C25H42O4406.59862100
9287426

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,24+,25+/m0/s1
C25H42O4406.59862100
10000324

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21+,22+,24+,25+/m0/s1
C25H42O4406.59862100
10072172

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20+,21+,22-,24+,25+/m0/s1
C25H42O4406.59862100
58782802

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1/i9D2,13D2,16D
C25H37D5O4411.62942400
58816969

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24?,25?/m1/s1
C25H42O4406.59861100
78273020

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m0/s1
C25H42O4406.59861100
113607863

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,24+,25+/m1/s1
C25H42O4406.59861100
114813958

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m1/s1
C25H42O4406.59861100
24607960

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21-,22-,24-,25-/m1/s1
C25H42O4406.59861100
24607961

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,24-,25-/m1/s1
C25H42O4406.59861100
24607962

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,24-,25-/m1/s1
C25H42O4406.59861100
20057678

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

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