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
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Found 2 results

Search term: MZYOKSIYLDLAJB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8944125

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H28N6O7S2/c1-27(6-8-28,7-9-29)5-3-4-11-10-35-17-13(12(11)20(32)33)16(30)14(17)23-19(31)15(25-34-2)18-24-21(22)36-26-18/h3-4,13-14,17,28-29H,5-10H2,1-2H3,(H3-,22,23,24,26,31,32,33)/p+1/b4-3+,25-15-/t13?,14-,17+/m1/s1
C21H29N6O7S2541.62042100
8944124

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H28N6O7S2/c1-27(6-8-28,7-9-29)5-3-4-11-10-35-17-13(12(11)20(32)33)16(30)14(17)23-19(31)15(25-34-2)18-24-21(22)36-26-18/h3-4,13-14,17,28-29H,5-10H2,1-2H3,(H3-,22,23,24,26,31,32,33)/b4-3+,25-15-/t13?,14-,17+/m1/s1
C21H28N6O7S2540.6131100

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