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: IHWDPMIZQZMPPU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17462577

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)/t11?,13-,14+,15?,16-,19-/m1/s1
C21H28N2O7420.456211800
3039654

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)
C21H28N2O7420.456225300
1403802

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)/t11-,13+,14-,15+,16+,19+/m0/s1
C21H28N2O7420.45622100
1403803

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)/t11-,13-,14+,15-,16-,19-/m1/s1
C21H28N2O7420.45622100
1403804

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)/t11-,13+,14-,15-,16+,19+/m0/s1
C21H28N2O7420.45622100
1403805

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28N2O7/c1-11(17(24)23-12-9-7-6-8-10-12)22-18(25)15-13-14(28-20(2,3)27-13)16-19(26-15)30-21(4,5)29-16/h6-11,13-16,19H,1-5H3,(H,22,25)(H,23,24)/t11-,13-,14+,15+,16-,19-/m1/s1
C21H28N2O7420.45622100

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