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: KXMBSMJOEHWQTE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10012033

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H16N2O4/c15-10(3-4-11(16)17)13-14-12(18)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,13,15)(H,14,18)(H,16,17)/b4-3+
C12H16N2O4252.266411900
5028500

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16N2O4/c15-10(3-4-11(16)17)13-14-12(18)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,13,15)(H,14,18)(H,16,17)/b4-3+/t7-,8+,9+/m1/s1
C12H16N2O4252.26642100
10037583

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16N2O4/c15-10(3-4-11(16)17)13-14-12(18)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,13,15)(H,14,18)(H,16,17)/b4-3+/t7-,8+,9-/m0/s1
C12H16N2O4252.26642100
5028499

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16N2O4/c15-10(3-4-11(16)17)13-14-12(18)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,13,15)(H,14,18)(H,16,17)/p-1/b4-3+/t7-,8+,9-/m0/s1
C12H15N2O4251.2591100
10037582

Charge

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H16N2O4/c15-10(3-4-11(16)17)13-14-12(18)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,13,15)(H,14,18)(H,16,17)/p-1/b4-3+/t7-,8+,9+/m1/s1
C12H15N2O4251.2591100

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