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
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Found 6 results

Search term: TXOIYQKACBWDQF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4747659

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H25N3O4S/c1-9(2)20-5-4-19-8-12-7-11(13(18)21-12)6-10(3)16-17-14(15)22/h9,11-12H,4-8H2,1-3H3,(H3,15,17,22)/b16-10+
C14H25N3O4S331.43111700
3000325

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H25N3O4S/c1-9(2)20-5-4-19-8-12-7-11(13(18)21-12)6-10(3)16-17-14(15)22/h9,11-12H,4-8H2,1-3H3,(H3,15,17,22)
C14H25N3O4S331.4318600
5687132

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H25N3O4S/c1-9(2)20-5-4-19-8-12-7-11(13(18)21-12)6-10(3)16-17-14(15)22/h9,11-12H,4-8H2,1-3H3,(H3,15,17,22)/b16-10-/t11-,12-/m0/s1
C14H25N3O4S331.4312100
5687134

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H25N3O4S/c1-9(2)20-5-4-19-8-12-7-11(13(18)21-12)6-10(3)16-17-14(15)22/h9,11-12H,4-8H2,1-3H3,(H3,15,17,22)/b16-10-/t11-,12+/m0/s1
C14H25N3O4S331.4312100
5687329

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H25N3O4S/c1-9(2)20-5-4-19-8-12-7-11(13(18)21-12)6-10(3)16-17-14(15)22/h9,11-12H,4-8H2,1-3H3,(H3,15,17,22)/b16-10-/t11-,12+/m1/s1
C14H25N3O4S331.4312100
5687330

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H25N3O4S/c1-9(2)20-5-4-19-8-12-7-11(13(18)21-12)6-10(3)16-17-14(15)22/h9,11-12H,4-8H2,1-3H3,(H3,15,17,22)/b16-10-/t11-,12-/m1/s1
C14H25N3O4S331.4312100

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