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 3 results

Search term: CJKCBJGFGMXLOO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16735666

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H42O5/c1-15(2)19-14-24(32)34-27(19)26(33)16(3)20-6-7-21-25-22(9-11-29(20,21)5)28(4)10-8-18(30)12-17(28)13-23(25)31/h13-16,18,20-22,25-27,30,33H,6-12H2,1-5H3/t16-,18-,20+,21-,22-,25-,26-,27+,28-,29+/m0/s1
C29H42O5470.64085833840
8248991

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C29H42O5/c1-15(2)19-14-24(32)34-27(19)26(33)16(3)20-6-7-21-25-22(9-11-29(20,21)5)28(4)10-8-18(30)12-17(28)13-23(25)31/h13-16,18,20-22,25-27,30,33H,6-12H2,1-5H3/t16?,18-,20+,21-,22-,25-,26?,27?,28-,29+/m0/s1
C29H42O5470.64082100
28533969

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H42O5/c1-15(2)19-14-24(32)34-27(19)26(33)16(3)20-6-7-21-25-22(9-11-29(20,21)5)28(4)10-8-18(30)12-17(28)13-23(25)31/h13-16,18,20-22,25-27,30,33H,6-12H2,1-5H3/t16-,18-,20?,21-,22-,25-,26-,27+,28-,29+/m0/s1
C29H42O5470.64081100

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