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 6 results

Search term: DTXWQIVVWCUVCQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2612539

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H16N4O2/c1-10-5-4-6-11(7-10)12-14(8-17)13(19)20-16(21-2,22-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)
C16H16N4O2296.323810800
5405882

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H16N4O2/c1-10-5-4-6-11(7-10)12-14(8-17)13(19)20-16(21-2,22-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)/t12-,14+,15+/m0/s1
C16H16N4O2296.32382100
5471301

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H16N4O2/c1-10-5-4-6-11(7-10)12-14(8-17)13(19)20-16(21-2,22-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)/t12-,14-,15-/m1/s1
C16H16N4O2296.32382100
5471300

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H16N4O2/c1-10-5-4-6-11(7-10)12-14(8-17)13(19)20-16(21-2,22-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)/p+1/t12-,14-,15-/m1/s1
C16H17N4O2297.33121100
3387823

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H16N4O2/c1-10-5-4-6-11(7-10)12-14(8-17)13(19)20-16(21-2,22-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)/p+1
C16H17N4O2297.331781100
5405881

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H16N4O2/c1-10-5-4-6-11(7-10)12-14(8-17)13(19)20-16(21-2,22-3)15(12,14)9-18/h4-7,12H,1-3H3,(H2,19,20)/p+1/t12-,14+,15+/m0/s1
C16H17N4O2297.33121100

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