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 4 results

Search term: NMMGUHANGUWNBN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8065800

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19-,26+,27+/m1/s1
C27H23N3O4453.48927700
8290555

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)
C27H23N3O4453.48922100
9714540

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19-,26+,27+/m1/s1/i13T/t13?,19-,26+,27+
C27H22TN3O4455.49732100
8044215

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19?,26-,27-/m0/s1
C27H23N3O4453.48922100

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