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 5 results

Search term: CLQDVLOGUJFGQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21762962

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C22H28O13/c1-8-15(25)17(27)19(29)21(31-8)35-20-18(28)16(26)13(7-23)34-22(20)33-12-6-10-9(5-11(12)30-2)3-4-14(24)32-10/h3-6,8,13,15-23,25-29H,7H2,1-2H3
C22H28O13500.44992100
62563472

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C22H28O13/c1-8-15(25)17(27)19(29)21(31-8)35-20-18(28)16(26)13(7-23)34-22(20)33-12-6-10-9(5-11(12)30-2)3-4-14(24)32-10/h3-6,8,13,15-23,25-29H,7H2,1-2H3/t8-,13+,15-,16-,17+,18-,19+,20-,21+,22+/m1/s1
C22H28O13500.44992200
62565412

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C22H28O13/c1-8-15(25)17(27)19(29)21(31-8)35-20-18(28)16(26)13(7-23)34-22(20)33-12-6-10-9(5-11(12)30-2)3-4-14(24)32-10/h3-6,8,13,15-23,25-29H,7H2,1-2H3/t8-,13-,15+,16+,17-,18+,19-,20+,21-,22-/m0/s1
C22H28O13500.44992300
62591316

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C22H28O13/c1-8-15(25)17(27)19(29)21(31-8)35-20-18(28)16(26)13(7-23)34-22(20)33-12-6-10-9(5-11(12)30-2)3-4-14(24)32-10/h3-6,8,13,15-23,25-29H,7H2,1-2H3/t8-,13+,15+,16-,17+,18-,19+,20-,21+,22+/m1/s1
C22H28O13500.44992200
62384033

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C22H28O13/c1-8-15(25)17(27)19(29)21(31-8)35-20-18(28)16(26)13(7-23)34-22(20)33-12-6-10-9(5-11(12)30-2)3-4-14(24)32-10/h3-6,8,13,15-23,25-29H,7H2,1-2H3/t8-,13-,15-,16+,17-,18+,19-,20+,21-,22-/m0/s1
C22H28O13500.44991100

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