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: QXDXBKZJFLRLCM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85009

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m1/s1
C9H12N2O7260.200851402120
1762

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)
C9H12N2O7260.2008172600
34229323

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6+,8-/m1/s1
C9H12N2O7260.20085400
57492307

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5-,6-,8-/m0/s1
C9H12N2O7260.20082300
1060823

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5+,6+,8+/m0/s1
C9H12N2O7260.20082100
2011558

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5?,6-,8-/m1/s1
C9H12N2O7260.200782200
5347383

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5+,6-,8-/m0/s1
C9H12N2O7260.20082100
5415667

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5+,6+,8-/m0/s1
C9H12N2O7260.20082100
5415668

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5+,6-,8+/m0/s1
C9H12N2O7260.20082100
5532434

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5+,6-,8-/m1/s1
C9H12N2O7260.20082100
58785587

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O7/c12-2-4-5(14)6(15)8(18-4)11-1-3(13)7(16)10-9(11)17/h1,4-6,8,12-15H,2H2,(H,10,16,17)/t4-,5+,6?,8-/m1/s1
C9H12N2O7260.20081100

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