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: ZIIQCSMRQKCOCT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5041

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)
C7H12N2O4S220.24626827500
139008

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/t5-/m1/s1
C7H12N2O4S220.2462351024110525
5036251


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/t5-/m0/s1
C7H12N2O4S220.2462333700
8189340

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/i9+1
C7H12N15NO4S221.23962100
5408777

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/p-1/t5-/m1/s1
C7H11N2O4S219.23881100
5415774

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/p-1/t5-/m0/s1
C7H11N2O4S219.23881100

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