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 5 results

Search term: MTEDBOAIQUHDQD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111580

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H19N5O4/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13/h1-5,9,11-13,23-24H,6-8H2,(H2,18,20,21)/t11-,12+,13+/m0/s1
C17H19N5O4357.3639233100
16049311

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H19N5O4/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13/h1-5,9,11-13,23-24H,6-8H2,(H2,18,20,21)
C17H19N5O4357.36392400
57426376

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H19N5O4/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13/h1-5,9,11-13,23-24H,6-8H2,(H2,18,20,21)/t11?,12-,13-/m0/s1
C17H19N5O4357.36391100
58781855

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H19N5O4/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13/h1-5,9,11-13,23-24H,6-8H2,(H2,18,20,21)/t11-,12-,13-/m1/s1
C17H19N5O4357.36391100
78474167

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H19N5O4/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13/h1-5,9,11-13,23-24H,6-8H2,(H2,18,20,21)/t11-,12-,13-/m0/s1
C17H19N5O4357.36391100

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