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: IFAYVBVXOVCLSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2299353

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(25)13(35-15)7-33-37(31,32)34-8-14-12(26)4-16(36-14)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1
C20H27N4O12P546.42174099999961300
170074

0 of 6 defined stereocentres - 0/6 defined

Non-standard isotope
InChI=1/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(25)13(35-15)7-33-37(31,32)34-8-14-12(26)4-16(36-14)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/i31+2
C20H27N4O1118OP548.42153300

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