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 5 results

Search term: QHHFOJMTUXHQGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2168651

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)
C22H20O5364.3912241700
1702020

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/t20-/m0/s1
C22H20O5364.39122100
1702022

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/t20-/m1/s1
C22H20O5364.39122100
1702019

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/p-1/t20-/m0/s1
C22H19O5363.38381100
1702021

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20O5/c1-13-18(26-20(21(23)24)14-7-3-2-4-8-14)12-11-16-15-9-5-6-10-17(15)22(25)27-19(13)16/h2-4,7-8,11-12,20H,5-6,9-10H2,1H3,(H,23,24)/p-1/t20-/m1/s1
C22H19O5363.38381100

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