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 8 results

Search term: NRKXAVULMYQWDF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2138573

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3
C17H20O6320.3371241400
5351171

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12-,13+,14+,17-/m0/s1
C17H20O6320.33712100
10052159

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12-,13-,14+,17-/m0/s1
C17H20O6320.33712100
10052160

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12-,13-,14+,17+/m0/s1
C17H20O6320.33712100
10052161

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12-,13+,14+,17+/m0/s1
C17H20O6320.33712100
21424450

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12?,13?,14?,17-/m1/s1
C17H20O6320.33712200
601378

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12-,13+,14+,17-/m1/s1
C17H20O6320.33712100
1138470

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H20O6/c1-17(21)9-11(18)13(15(19)22-2)12(14(17)16(20)23-3)10-7-5-4-6-8-10/h4-8,12-14,21H,9H2,1-3H3/t12-,13+,14-,17-/m0/s1
C17H20O6320.33712100

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