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 15 results

Search term: FCQRLHQHKFKTQE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5539635

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H42O4418.6093211847
467805

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)
C26H42O4418.60935500
10011299

Charge

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1/t16?,18-,19-,20?,21-,22?,23?,25+,26-/m1/s1
C26H41O4417.60193100
10011300

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16?,18-,19-,20?,21-,22?,23?,25+,26-/m1/s1
C26H42O4418.60932100
10064250

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20-,21-,22+,23-,25+,26-/m1/s1
C26H42O4418.60932100
9815080

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19+,20+,21-,22+,23+,25+,26-/m1/s1
C26H42O4418.60932100
10064252

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20-,21-,22-,23-,25+,26-/m1/s1
C26H42O4418.60932100
10064254

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20-,21-,22+,23+,25+,26-/m1/s1
C26H42O4418.60932100
10064256

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20-,21-,22-,23+,25+,26-/m1/s1
C26H42O4418.60932100
74178911

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18?,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H42O4418.60931100
10064255

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1/t16-,18-,19-,20-,21-,22-,23+,25+,26-/m1/s1
C26H41O4417.60191100
10064253

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1/t16-,18-,19-,20-,21-,22+,23+,25+,26-/m1/s1
C26H41O4417.60191100
4363859

Charge

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1
C26H41O4417.6013400000011100
10064251

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1/t16-,18-,19-,20-,21-,22-,23-,25+,26-/m1/s1
C26H41O4417.60191100
10064249

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/p-1/t16-,18-,19-,20-,21-,22+,23-,25+,26-/m1/s1
C26H41O4417.60191100

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