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: YYDZNUMDZXMMCI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117021

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H28N4O6/c1-5-40-30(38)33(3)19-14-20-34-17-12-8-6-10-15(17)21-23-24(29(37)32-28(23)36)22-16-11-7-9-13-18(16)35(26(22)25(21)34)31(2,41-20)27(19)39-4/h6-13,19-20,27H,5,14H2,1-4H3,(H,32,36,37)/t19-,20+,27+,31+/m1/s1
C31H28N4O6552.57726400
8113105

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H28N4O6/c1-5-40-30(38)33(3)19-14-20-34-17-12-8-6-10-15(17)21-23-24(29(37)32-28(23)36)22-16-11-7-9-13-18(16)35(26(22)25(21)34)31(2,41-20)27(19)39-4/h6-13,19-20,27H,5,14H2,1-4H3,(H,32,36,37)
C31H28N4O6552.57724300
7983424

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H28N4O6/c1-5-40-30(38)33(3)19-14-20-34-17-12-8-6-10-15(17)21-23-24(29(37)32-28(23)36)22-16-11-7-9-13-18(16)35(26(22)25(21)34)31(2,41-20)27(19)39-4/h6-13,19-20,27H,5,14H2,1-4H3,(H,32,36,37)/t19-,20-,27-,31+/m1/s1
C31H28N4O6552.57722100

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