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: AIZSNLNTIFEHJG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
394089

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t11-,12-/m0/s1
C19H21N7O6443.413331500
3571763

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t11?,12-/m0/s1
C19H21N7O6443.413342200
61710913

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t11-,12+/m1/s1
C19H21N7O6443.41332300
21210337

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t11-,12+/m1/s1
C19H19N7O6441.39861100

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