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 4 results

Search term: GYFQSWKDJHXCSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22880457

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C19H21ClN4O5/c1-29-6-2-5-24-16(26)14-12(8-13(21)25)23-19(15(14)17(24)27)10-7-9(20)3-4-11(10)22-18(19)28/h3-4,7,12,14-15,23H,2,5-6,8H2,1H3,(H2,21,25)(H,22,28)/t12?,14-,15+,19?/m1/s1
C19H21ClN4O5420.84689800
4080472

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C19H21ClN4O5/c1-29-6-2-5-24-16(26)14-12(8-13(21)25)23-19(15(14)17(24)27)10-7-9(20)3-4-11(10)22-18(19)28/h3-4,7,12,14-15,23H,2,5-6,8H2,1H3,(H2,21,25)(H,22,28)
C19H21ClN4O5420.846844200
62412054

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H21ClN4O5/c1-29-6-2-5-24-16(26)14-12(8-13(21)25)23-19(15(14)17(24)27)10-7-9(20)3-4-11(10)22-18(19)28/h3-4,7,12,14-15,23H,2,5-6,8H2,1H3,(H2,21,25)(H,22,28)/t12-,14-,15-,19+/m0/s1
C19H21ClN4O5420.84682200
62412055

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H21ClN4O5/c1-29-6-2-5-24-16(26)14-12(8-13(21)25)23-19(15(14)17(24)27)10-7-9(20)3-4-11(10)22-18(19)28/h3-4,7,12,14-15,23H,2,5-6,8H2,1H3,(H2,21,25)(H,22,28)/t12-,14+,15-,19+/m0/s1
C19H21ClN4O5420.84682200

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