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 13 results

Search term: XHRLTYUHWGHDCJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9924772

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H40O4404.5827131200
23936624

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21+,23+,24+,25-/m1/s1
C25H40O4404.58279500
541403

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3
C25H40O4404.58277700
9190158

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16-,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H40O4404.58275400
107444556

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16-,18-,19+,20+,21-,23-,24-,25+/m0/s1
C25H40O4404.58272200
9070053

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-/m1/s1/i13+1,17+1
C2313C2H40O4406.5682200
24535143

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15?,16-,18+,19?,20?,21+,23?,24-,25+/m0/s1
C25H40O4404.58271100
29787398

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15?,16-,18?,19?,20?,21-,23-,24-,25+/m0/s1
C25H40O4404.58271100
64872661

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-/m0/s1
C25H40O4404.58271100
76871172

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15?,16-,18+,19-,20-,21-,23-,24-,25+/m0/s1
C25H40O4404.58271200
78273026

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21+,23+,24+,25-/m0/s1
C25H40O4404.58271100
107441468

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/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/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16-,18+,19-,20-,21-,23-,24-,25+/m0/s1
C25H40O4404.58271400

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