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: ZBMZVLHSJCTVON (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5063

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
C12H20N2O3S272.36381101558231910
106534

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/t12-/m1/s1
C12H20N2O3S272.3638354800
4809791

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/t12-/m0/s1
C12H20N2O3S272.3638141600
10193638

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/p+1
C12H21N2O3S273.37122200
78333919

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/i1D3,2D3
C12H14D6N2O3S278.40081100
95589818

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3/i15D/hD2
C12H17D3N2O3S275.38231100

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