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 6 results

Search term: MTILEUGHINFLTP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8162316

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25-,27+,28-,29-,30-,31-,32+,33-,34-/m1/s1
C34H68N2O9648.91174300
8779627

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25?,27?,28?,29?,30-,31-,32+,33-,34-/m1/s1
C34H68N2O9648.91174334
10477935

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3
C34H68N2O9648.91173400
29212661

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25?,27-,28?,29+,30?,31?,32?,33?,34?/m0/s1
C34H68N2O9648.91172200
8755526

5 of 9 defined stereocentres - 5/9 defined

Non-standard isotope
InChI=1/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25?,27?,28?,29?,30-,31-,32+,33-,34-/m1/s1/i19D2,20D2
C34H64D4N2O9652.93642200
425808

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C34H68N2O9/c1-25(35)28(40)21-17-13-9-7-5-3-2-4-6-8-11-15-19-26(39)20-16-12-10-14-18-22-29(27(36)23-37)44-34-33(43)32(42)31(41)30(24-38)45-34/h25,27-34,37-38,40-43H,2-24,35-36H2,1H3/t25?,27?,28?,29?,30-,31+,32+,33-,34-/m1/s1
C34H68N2O9648.91172200

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