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 13 results

Search term: UUTKICFRNVKFRG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59348

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1
C9H12N2O4S244.267611594620
102735

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)
C9H12N2O4S244.2676494400
29787874

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6+/m0/s1
C9H12N2O4S244.2676191900
29273426

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m1/s1
C9H12N2O4S244.2676151100
29273425

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6+/m1/s1
C9H12N2O4S244.2676141000
18609880

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6?/m0/s1
C9H12N2O4S244.26764200
56396876

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6?/m1/s1
C9H12N2O4S244.26764400
8620047

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1/i16+3
C9H12N2O435S247.17162200
9951749

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1/i1+2,2+2,5+2,7+2,8+2
C414C5H12N2O4S254.23032100
10039736

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/p-1/t5-,6-/m0/s1
C9H11N2O4S243.26021100
107448296

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1/i1D2,2D2,5D
C9H7D5N2O4S249.29841100
111310780

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m1/s1/i1D2,2D2,5D
C9H7D5N2O4S249.29841100

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