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 12 results

Search term: IYNWSQDZXMGGGI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16735936

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m0/s1
C16H21NO243.3442327575
452801

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2
C16H21NO243.344104500
28527689

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m1/s1
C16H21NO243.3448900
48058567

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m1/s1/i4D,5D,10D
C16H18D3NO246.36256700
23976895

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/i4D,5D,10D
C16H18D3NO246.36255100
4576404

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16-/m0/s1
C16H21NO243.3443200
5291958

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15-,16+/m0/s1
C16H21NO243.344042200
9577251

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15-,16-/m0/s1/i4D,5D,10D
C16H18D3NO246.36252100
9966059

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15-,16-/m1/s1
C16H21NO243.3442100
13109624

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15-,16+/m1/s1
C16H21NO243.3441100
13182608

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15-,16+/m0/s1/i4D,5D,10D
C16H18D3NO246.36251100

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