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
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Found 7 results

Search term: AZXZUBZBLNFUPF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8426620

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
C27H40O3412.60478803
9146887

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
C27H40O3412.60472100
10095277

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
C27H40O3412.60472100
10095278

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17-,20-,21+,22-,23-,24+,25-,26-,27+/m0/s1
C27H40O3412.60472100
10095279

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1
C27H40O3412.60472100
10095280

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17-,20-,21+,22-,23-,24+,25-,26-,27-/m0/s1
C27H40O3412.60472100
10420393

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20?,21?,22?,23?,24?,25+,26+,27-/m1/s1
C27H40O3412.60471100

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