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 59 results

Search term: YMMFNKXZULYSOQ (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82619

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H48O3420.6682558700
48063856

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1/i1D3,2D3,17D
C27H41D7O3427.7114141600
467749

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3
C27H48O3420.668283300
2033934

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22?,23?,24-,25-,26-,27+/m1/s1
C27H48O3420.6682200000017600
103198

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24?,25-,26-,27?/m1/s1
C27H48O3420.66826754
5140898

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18?,19-,20?,21+,22?,23?,24+,25+,26+,27-/m0/s1
C27H48O3420.66826300
2035205

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20?,21+,22?,23?,24-,25+,26+,27-/m0/s1
C27H48O3420.6682200000015400
2103680

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27-/m0/s1
C27H48O3420.6682200000014200
5142898

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18?,19-,20?,21?,22?,23?,24+,25+,26+,27-/m0/s1
C27H48O3420.66824200
13172047

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H48O3420.66824400
58781499

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1/i1D3,2D3,17D
C27H41D7O3427.71143500
10062508

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20+,21+,22+,23+,24-,25+,26+,27-/m0/s1
C27H48O3420.66823200
10062510

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20+,21+,22+,23-,24-,25+,26+,27-/m0/s1
C27H48O3420.66823200
10064748

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23-,24+,25-,26-,27+/m1/s1
C27H48O3420.66823200
9468061

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H48O3420.66823100
10051748

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23-,24-,25-,26-,27+/m1/s1
C27H48O3420.66822100
10051749

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H48O3420.66822100
10051750

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m1/s1
C27H48O3420.66822100
10062507

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24-,25+,26+,27-/m0/s1
C27H48O3420.66822100
8630250

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20?,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H48O3420.66822100
123

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