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 37 results

Search term: PRYIJAGAEJZDBO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
197489

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
C27H46O2402.6529525950
97204

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H46O2402.6529454800
254177

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3
C27H46O2402.6529122200
389545

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H46O2402.6529101100
2060906

2 of 10 defined stereocentres - 2/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18?,19?,20?,21?,22?,23?,24-,25?,26?,27-/m0/s1
C27H46O2402.65294000000110500
18561968

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
C27H46O2402.6529102600
2497519

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1/i1D3,2D3,17D
C27H39D7O2409.69619900
4955622

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24?,25-,26-,27?/m1/s1
C27H46O2402.652982461
2497514

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1/i1D3,2D3,17D
C27H39D7O2409.69617800
9244621

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21?,22+,23+,24+,25-,26-,27+/m1/s1
C27H46O2402.65294200
4953950

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24?,25-,26-,27?/m1/s1
C27H46O2402.65293300
164109

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27?/m1/s1
C27H46O2402.65293300
10051744

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23-,24-,25-,26-,27-/m1/s1
C27H46O2402.65292100
10051745

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m1/s1
C27H46O2402.65292100
10051746

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H46O2402.65292100
10051747

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27-/m1/s1
C27H46O2402.65292100
10062034

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27+/m1/s1
C27H46O2402.65292100
10062035

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22-,23+,24-,25+,26+,27-/m0/s1
C27H46O2402.65292100
10062036

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23-,24+,25-,26-,27+/m1/s1
C27H46O2402.65292100
10062037

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24-,25+,26+,27-/m0/s1
C27H46O2402.65292100
12

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