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: LWPQRRAIIWETLD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28290132

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/b9-7+,13-10+,16-11-
C21H22O5354.39646700
59702217

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/b9-7+,13-10+,16-11+/t14-/m0/s1
C21H22O5354.39642100
59702712

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/b9-7+,13-10+,16-11-/t14-/m0/s1
C21H22O5354.39642100
123960020

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/b9-7+,13-10-,16-11u
C21H22O5354.39641100
30785676

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/p-1/b9-7+,13-10+,16-11-
C21H21O5353.3891100

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