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 12 results

Search term: XSSYCIGJYCVRRK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65163

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)
C11H13N5O2247.2532319000
58516

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7+/m1/s1
C11H13N5O2247.2532293400
398295

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7+/m0/s1
C11H13N5O2247.2532262800
48057593

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/i4D2,5+1
C1013CH11D2N5O2250.25826400
2497374

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7-/m1/s1
C11H13N5O2247.25324400
68023038

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/i5+1
C1013CH13N5O2248.24593200
76920240

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7+/m1/s1/i4D2,5+1
C1013CH11D2N5O2250.25822200
5145632

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/p+1/t6-,7-/m1/s1
C11H14N5O2248.26062100
9218232

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7-/m0/s1
C11H13N5O2247.25322100
77429951

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/t6-,7?/m1/s1
C11H13N5O2247.25321100
78057737

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/i4D2
C11H11D2N5O2249.26551200
110406485

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)/i5T
C11H12TN5O2249.26131100

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