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 2 results

Search term: LFRPJDOOHUTCTH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35517103

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C53H93N7O13/c1-13-34(10)27-35(11)20-18-16-14-15-17-19-21-37-28-43(61)55-38(22-23-44(62)63)48(67)60-46(33(8)9)52(71)58-39(24-30(2)3)49(68)54-36(12)47(66)56-41(29-45(64)65)51(70)57-40(25-31(4)5)50(69)59-42(26-32(6)7)53(72)73-37/h30-42,46H,13-29H2,1-12H3,(H,54,68)(H,55,61)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,62,63)(H,64,65)/t34?,35?,36-,37+,38-,39-,40-,41-,42-,46-/m0/s1
C53H93N7O131036.34464400
78439863

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C53H93N7O13/c1-13-34(10)27-35(11)20-18-16-14-15-17-19-21-37-28-43(61)55-38(22-23-44(62)63)48(67)60-46(33(8)9)52(71)58-39(24-30(2)3)49(68)54-36(12)47(66)56-41(29-45(64)65)51(70)57-40(25-31(4)5)50(69)59-42(26-32(6)7)53(72)73-37/h30-42,46H,13-29H2,1-12H3,(H,54,68)(H,55,61)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,62,63)(H,64,65)/t34?,35?,36-,37+,38-,39-,40-,41+,42+,46+/m0/s1
C53H93N7O131036.34461100

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