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 11 results

Search term: LIEJILKXNSLXJY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3479118

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3
C28H29NO395.5359610500
1460852

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/t25-,26-,27-,28+/m1/s1
C28H29NO395.5362100
5702846

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/t25-,26+,27+,28-/m1/s1
C28H29NO395.5362100
5702848

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/t25-,26-,27-,28+/m0/s1
C28H29NO395.5362100
5702850

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/t25-,26+,27-,28-/m1/s1
C28H29NO395.5362100
5702852

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/t25-,26-,27+,28+/m0/s1
C28H29NO395.5362100
5702851

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26-,27+,28+/m0/s1
C28H30NO396.54341100
5702849

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26+,27-,28-/m1/s1
C28H30NO396.54341100
5702847

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26-,27-,28+/m0/s1
C28H30NO396.54341100
1460851

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26-,27-,28+/m1/s1
C28H30NO396.54341100
5702845

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H29NO/c1-2-12-25-27(24-17-10-5-11-18-24)29-26(23-15-8-4-9-16-23)21-28(25,30)20-19-22-13-6-3-7-14-22/h3-11,13-18,25-27,29-30H,2,12,21H2,1H3/p+1/t25-,26+,27+,28-/m1/s1
C28H30NO396.54341100

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