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 8 results

Search term: XPKKFTKCRVIDAG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
148313

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)
C7H11NO6S237.2303242300
56061319

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4?/m0/s1
C7H11NO6S237.230310800
8439019

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1
C7H11NO6S237.23036500
8642084

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m1/s1
C7H11NO6S237.23033200
8212714

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4+/m0/s1
C7H11NO6S237.23033200
8281095

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4+/m1/s1
C7H11NO6S237.23033200
56061320

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4?/m1/s1
C7H11NO6S237.23031100
114390392

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4?/m0/s1/i2D2
C7H9D2NO6S239.24271100

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