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 10 results

Search term: OCIBRRBOOBNKJY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
552289

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17-,19+,20-,21+/m1/s1
C21H28O6376.4434141200
10183773

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17+,19+,20-,21+/m1/s1
C21H28O6376.4434111000
4475980

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12?,13-,14+,15-,17-,19+,20?,21?/m1/s1
C21H28O6376.44343200
68059444

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13+,14-,15+,17-,19-,20+,21-/m0/s1
C21H28O6376.44342200
113601116

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17-,19+,20-,21+/m0/s1
C21H28O6376.44342200
113609670

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13+,14-,15+,17-,19+,20+,21-/m0/s1
C21H28O6376.44341100
113609671

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13+,14-,15+,17+,19+,20+,21-/m0/s1
C21H28O6376.44341100
113601115

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17+,19+,20-,21+/m0/s1
C21H28O6376.44341100
59650733

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12?,13-,14+,15-,17-,19+,20-,21+/m1/s1
C21H28O6376.44341100
68059443

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13+,14-,15+,17+,19-,20+,21-/m0/s1
C21H28O6376.44341100

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