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 9 results

Search term: QCVKYDNFSXDPSW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17466830

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19+,20-,22?,23+,24+,25+,26+,27-/m1/s1
C27H42O3414.62068500
4953662

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19+,20-,22+,23+,24+,25+,26+,27-/m1/s1
C27H42O3414.62068700
5140760

2 of 11 defined stereocentres - 2/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16?,17-,18?,19-,20?,22?,23?,24?,25?,26?,27?/m0/s1
C27H42O3414.62065400
2774246

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3
C27H42O3414.6205800000013200
31106391

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16?,17-,18-,19-,20+,22-,23?,24?,25-,26-,27-/m0/s1
C27H42O3414.62061100
113598270

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19+,20-,22?,23+,24+,25+,26+,27-/m0/s1
C27H42O3414.62061100
127384098

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19+,20-,22?,23+,24?,25+,26+,27-/m1/s1
C27H42O3414.62061100
129224290

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19-,20-,22+,23+,24+,25+,26+,27-/m1/s1
C27H42O3414.62061100

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