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 9 results

Search term: YLYLCQRQSRDSQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8027406

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16?/m0/s1
C16H19N3O3301.3404231700
71061194

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16-/m0/s1
C16H19N3O3301.3404111100
381349

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2
C16H19N3O3301.34046400
391217

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14+,16?/m0/s1
C16H19N3O3301.34045400
10269421

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16?/m1/s1
C16H19N3O3301.34044300
23175400

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13?,14-,16?/m0/s1
C16H19N3O3301.34042100
9143839

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16+/m0/s1
C16H19N3O3301.34042100
35518545

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16u/m0/s1
C16H19N3O3301.34041100
114642704

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14+,16+/m1/s1
C16H19N3O3301.34041100

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