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 7 results

Search term: NEHOOTOVVLNUDJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21522543

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3/t21-,23?,25+,26-/m0/s1
C26H39NO4429.592210800
21336718

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3/t21-,23?,25+,26?/m0/s1
C26H39NO4429.59226500
2962588

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3
C26H39NO4429.592162100
5027524

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3/t21-,23-,25+,26-/m0/s1
C26H39NO4429.59222100
10049066

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3/t21-,23+,25+,26-/m0/s1
C26H39NO4429.59222100
10049067

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3/p+1/t21-,23-,25+,26-/m0/s1
C26H40NO4430.59961100
10049065

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H39NO4/c1-19-6-9-23-25(2,11-5-12-26(23,3)24(28)29-4)21(19)8-7-20-10-15-31-22(20)18-27-13-16-30-17-14-27/h10,15,21,23H,1,5-9,11-14,16-18H2,2-4H3/p+1/t21-,23+,25+,26-/m0/s1
C26H40NO4430.59961100

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