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 6 results

Search term: BHNZRIZYCGDZNQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57262459

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H36O10/c1-4-5-6-7-13-10-17(35-26-22(30)20(28)21(29)23(36-26)25(33)34)19-15-12-14(24(31)32)8-9-16(15)27(2,3)37-18(19)11-13/h10-12,15-16,20-23,26,28-30H,4-9H2,1-3H3,(H,31,32)(H,33,34)/t15-,16-,20+,21+,22-,23+,26-/m1/s1
C27H36O10520.56875300
107442762

5 of 7 defined stereocentres - 5/7 defined

Non-standard isotope
InChI=1/C27H36O10/c1-4-5-6-7-13-10-17(35-26-22(30)20(28)21(29)23(36-26)25(33)34)19-15-12-14(24(31)32)8-9-16(15)27(2,3)37-18(19)11-13/h10-12,15-16,20-23,26,28-30H,4-9H2,1-3H3,(H,31,32)(H,33,34)/t15-,16-,20?,21+,22?,23+,26-/m1/s1/i1D3,4D2,5D2,6D2
C27H27D9O10529.62422200
9780821

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H36O10/c1-4-5-6-7-13-10-17(35-26-22(30)20(28)21(29)23(36-26)25(33)34)19-15-12-14(24(31)32)8-9-16(15)27(2,3)37-18(19)11-13/h10-12,15-16,20-23,26,28-30H,4-9H2,1-3H3,(H,31,32)(H,33,34)/t15?,16?,20-,21-,22+,23-,26-/m0/s1
C27H36O10520.56872100
111308609

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H36O10/c1-4-5-6-7-13-10-17(35-26-22(30)20(28)21(29)23(36-26)25(33)34)19-15-12-14(24(31)32)8-9-16(15)27(2,3)37-18(19)11-13/h10-12,15-16,20-23,26,28-30H,4-9H2,1-3H3,(H,31,32)(H,33,34)/t15-,16-,20-,21-,22?,23?,26+/m0/s1
C27H36O10520.56871100
57487177

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H36O10/c1-4-5-6-7-13-10-17(35-26-22(30)20(28)21(29)23(36-26)25(33)34)19-15-12-14(24(31)32)8-9-16(15)27(2,3)37-18(19)11-13/h10-12,15-16,20-23,26,28-30H,4-9H2,1-3H3,(H,31,32)(H,33,34)
C27H36O10520.56871100
107441725

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C27H36O10/c1-4-5-6-7-13-10-17(35-26-22(30)20(28)21(29)23(36-26)25(33)34)19-15-12-14(24(31)32)8-9-16(15)27(2,3)37-18(19)11-13/h10-12,15-16,20-23,26,28-30H,4-9H2,1-3H3,(H,31,32)(H,33,34)/t15-,16-,20?,21+,22?,23+,26-/m1/s1
C27H36O10520.56871100

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