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 3 results

Search term: DTZZRZAWULRBHN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4678006

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H23NO4.C6H3N3O8/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1,10-11H/t13-;/m0./s1
C26H26N4O12586.50424400
20576754

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H23NO4.C6H3N3O8/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1,10-11H/p-1/t13-;/m0./s1
C26H25N4O12585.49682200
64882320

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H23NO4.C6H3N3O8/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23);1,10-11H
C26H26N4O12586.50422200

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