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: AGBQKNBQESQNJD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
841

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
C8H14O2S2206.32561738161911
5886

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
C8H14O2S2206.32561401802837524
392857

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
C8H14O2S2206.3256786500
35466743

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/i3D2,5D2,7D
C8H9D5O2S2211.3564141400
1266105

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1/t7-/m1/s1
C8H13O2S2205.31825400
4573896

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1
C8H13O2S2205.31825573
49072877

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/i3+1,4+1,7+1,8+1
C413C4H14O2S2210.29623200
1266069

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1/t7-/m0/s1
C8H13O2S2205.31821100

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