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 8 results

Search term: WXMXRAPAGYPAJI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
56689

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22-,23+,24-,25+/m0/s1
C26H31NO6453.52745300
114392767

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22-,23+,24-,25?/m0/s1/i1D3/t21-,22-,23+,24-,25?,27?
C26H28D3NO6456.54594400
56690

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/p+1/t21-,22-,23+,24-,25+/m0/s1
C26H32NO6454.53482200
58952389

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22-,23+,24-,25?/m0/s1
C26H31NO6453.52742200
107443534

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22+,23-,24+,25-/m1/s1/i1D3,2D3
C26H25D6NO6459.56441100
107449266

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22+,23-,24+,25-/m1/s1/i1D3/t21-,22+,23-,24+,25-,27?
C26H28D3NO6456.54591100
110417881

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22+,23-,24+,25-/m1/s1
C26H31NO6453.52741300
29789205

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21?,22-,23?,24?,25+/m0/s1
C26H31NO6453.52741100

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