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 21 results

Search term: JBALICPRCDQXRA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
276893

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)
C26H40O4416.593411800
17466402

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19-,20+,21-,22?,23?,25+,26-/m1/s1
C26H40O4416.59348400
9276933

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1
C26H40O4416.59344300
1393605

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19+,20+,21+,22+,23+,25+,26-/m1/s1
C26H40O4416.59342100
1393600

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19+,20+,21+,22+,23-,25+,26-/m1/s1
C26H40O4416.59342100
1393603

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19+,20+,21+,22-,23-,25+,26-/m1/s1
C26H40O4416.59342100
10050170

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19-,20+,21-,22+,23-,25+,26-/m1/s1
C26H40O4416.59342100
10050172

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19-,20+,21-,22-,23-,25+,26-/m1/s1
C26H40O4416.59342100
10050174

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H40O4416.59342100
1393607

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19+,20+,21+,22-,23+,25+,26-/m1/s1
C26H40O4416.59342100
10050176

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19-,20+,21-,22-,23+,25+,26-/m1/s1
C26H40O4416.59342100
10050175

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19-,20+,21-,22-,23+,25+,26-/m1/s1
C26H39O4415.5861100
10050173

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H39O4415.5861100
10050171

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19-,20+,21-,22-,23-,25+,26-/m1/s1
C26H39O4415.5861100
1393604

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19+,20+,21+,22+,23+,25+,26-/m1/s1
C26H39O4415.5861100
1393602

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19+,20+,21+,22-,23-,25+,26-/m1/s1
C26H39O4415.5861100
1393606

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19+,20+,21+,22-,23+,25+,26-/m1/s1
C26H39O4415.5861100
10050169

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19-,20+,21-,22+,23-,25+,26-/m1/s1
C26H39O4415.5861100
21217488

Charge

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/p-1/t16-,19-,20-,21+,22+,23+,25+,26+/m0/s1
C26H39O4415.5861100
113598338

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C26H40O4/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/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19-,20+,21-,22?,23?,25+,26-/m0/s1
C26H40O4416.59341100
12

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