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 6 results

Search term: BNXKKGNFJUFIND (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
473489

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3
C25H40O4404.58277600
224088

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,24+,25-/m1/s1
C25H40O4404.58275300
4934113

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15?,16-,17-,18?,19?,20?,21?,24?,25?/m1/s1
C25H40O4404.58273300
4934115

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15?,16-,17+,18?,19?,20?,21?,24?,25?/m1/s1
C25H40O4404.58273300
29272987

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1/i14D2
C25H38D2O4406.5951200

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