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: PAVQGHWQOQZQEH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57911

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
C12H16O4224.2539778211
21186876

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/t7-,8+,11+,12-
C12H16O4224.253413600
95531043

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/t7-,8+,11-,12-
C12H16O4224.2532200
4273955

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/p-2
C12H14O4222.237162200
97083569

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/t7?,8?,11-,12+
C12H16O4224.2531100
113606843

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/t7-,8-,11-,12+
C12H16O4224.2531100

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