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: LUAVTILJYYPSGE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17961270

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C29H40N2O4.ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H;1H2
C29H43ClN2O5535.11514200
19995569

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H40N2O4.ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H;1H2/t18-,21-,24+,25-;;/m0../s1
C29H43ClN2O5535.11514400
26402600

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C29H40N2O4.ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H;1H2/t18-,21-,24+,25?;;/m0../s1
C29H43ClN2O5535.11514300
5036955

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H40N2O4.ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H;1H2/t18-,21+,24-,25-;;/m1../s1
C29H43ClN2O5535.11513300

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