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 2 results

Search term: LLRLNYXQHGJJLB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29272115

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H16N4O8S2/c26-18(22-17-19(27)23-14(21(28)29)7-9-35-20(17)23)13(16-2-1-8-34-16)6-4-11-3-5-12(24(30)31)10-15(11)25(32)33/h1-8,10,13,17,20H,9H2,(H,22,26)(H,28,29)/b6-4+/t13?,17-,20-/m1/s1
C21H16N4O8S2516.5037162100
68026001

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H16N4O8S2/c26-18(22-17-19(27)23-14(21(28)29)7-9-35-20(17)23)13(16-2-1-8-34-16)6-4-11-3-5-12(24(30)31)10-15(11)25(32)33/h1-8,10,13,17,20H,9H2,(H,22,26)(H,28,29)/b6-4+/t13?,17?,20-/m0/s1
C21H16N4O8S2516.50371100

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