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 7 results

Search term: SLBCPBUVHCASIJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391601

Charge

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3?,4?,5?,6?,7-,9?,10?,11?/m0/s1
C11H17N3O8319.2683300
3688099

Charge

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1
C11H17N3O8319.267983300
10143639

Charge

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3-,4?,5?,6?,7?,9?,10?,11+/m1/s1
C11H17N3O8319.2682100
28284195

Charge

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3?,4-,5?,6-,7-,9+,10+,11?/m1/s1
C11H17N3O8319.2681100
30797221

Charge

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2?,3-,4?,5?,6?,7+,9+,10+,11?/m1/s1
C11H17N3O8319.2681100
30797222

Charge

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2-,3+,4-,5+,6-,7-,9-,10-,11+/m0/s1
C11H17N3O8319.2681100
9791455

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C11H16N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-19H,1H2,(H3,12,13,14)/q-1/p+1/t2-,3+,4-,5+,6-,7+,9+,10-,11+/m1/s1
C11H17N3O8319.2681100

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