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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
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Found 38 results

Search term: NYOXRYYXRWJDKP (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82602

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
C27H44O384.6377112273300397
17466458

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24?,25?,26+,27-/m1/s1
C27H44O384.63778500
62993121

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1/i9D2,13D2,17D
C27H39D5O389.66857900
2033939

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22-,23+,24?,25?,26-,27+/m0/s1
C27H44O384.6376600000017600
5861350

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25-,26+,27-/m1/s1
C27H44O384.63773100
9569911

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m0/s1
C27H44O384.63773200
10043701

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22-,23+,24+,25-,26-,27-/m1/s1
C27H44O384.63772100
10043702

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24-,25+,26+,27+/m0/s1
C27H44O384.63772100
10043703

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22-,23-,24+,25-,26-,27-/m1/s1
C27H44O384.63772100
10043704

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27+/m0/s1
C27H44O384.63772100
10050193

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24-,25-,26+,27-/m1/s1
C27H44O384.63772100
10050194

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24-,25+,26+,27-/m1/s1
C27H44O384.63772100
10061735

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22-,23+,24+,25+,26-,27+/m0/s1
C27H44O384.63772100
10082084

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24-,25+,26-,27+/m0/s1
C27H44O384.63772100
10082085

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23+,24-,25+,26-,27+/m0/s1
C27H44O384.63772100
7997215

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19?,22?,23-,24+,25+,26+,27-/m1/s1
C27H44O384.63772100
5368393

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22-,23+,24+,25-,26+,27-/m1/s1
C27H44O384.63772100
5441453

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22-,23-,24+,25-,26+,27-/m1/s1
C27H44O384.63772100
1393953

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23+,24-,25-,26+,27-/m1/s1
C27H44O384.63772100
1393954

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23+,24-,25+,26+,27-/m1/s1
C27H44O384.63772100
12

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