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: KCYQMQGPYWZZNJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9451246

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/b8-7+
C12H20O4228.2848172900
20482723

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)
C12H20O4228.28483320
32700302

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/b8-7-
C12H20O4228.28483500
10687224

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/p-2/b8-7+
C12H18O4226.272500
34985927

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/b8-7+/t10-/m0/s1
C12H20O4228.28481200
34985928

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/b8-7+/t10-/m1/s1
C12H20O4228.28481200
34992025

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/b8-7-/t10-/m1/s1
C12H20O4228.28481200
34992026

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16)/b8-7-/t10-/m0/s1
C12H20O4228.28481200

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