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
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Found 12 results

Search term: IMNTVVOUWFPRSB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117230

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1
C26H27NO3401.4975191900
9916476

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3
C26H27NO3401.49759700
8494338

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25+/m0/s1
C26H27NO3401.49757500
8062978

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25+/m1/s1
C26H27NO3401.49755400
8539254

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1/i13D,14D
C26H25D2NO3403.50982200
8700861

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1/i6T,9T,10T/t6?,9?,10?,24-,25-
C26H24T3NO3407.52182200
8796860

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1/i3T,4T,5T,9T/t9?,24-,25-
C26H23T4NO3409.52992100
8915606

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m0/s1/i3T,4T,5T,9T/t9?,24-,25-
C26H23T4NO3409.52992100
8962670

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1/i26+2
C2514CH27NO3403.492200
23152389

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25?/m1/s1
C26H27NO3401.49752200
23219317

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m0/s1
C26H27NO3401.49752200
74176441

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25?/m0/s1
C26H27NO3401.49751100

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