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 9 results

Search term: QXRNAOYBCYVZCD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5379128

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
C9H19N3O3217.26551617526
3343483

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)
C9H19N3O3217.265461416504273
17279430

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m0/s1
C9H19N3O3217.26558700
16787914

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1
C9H19N3O3217.265567311
23257224

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m1/s1
C9H19N3O3217.26554301
5379127

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/p+1/t6-,7-/m0/s1
C9H20N3O3218.27292200
120948434

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7?/m0/s1
C9H19N3O3217.26551100
3632109

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/p+1
C9H20N3O3218.27341100
16787870

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6?,7-/m1/s1
C9H19N3O3217.26551114

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