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 6 results

Search term: WSSJONWNBBTCMG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8059


0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
C16H22O3262.344189147588
5036518

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12+/m1/s1
C16H22O3262.34416500
21239362

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12+/m0/s1
C16H22O3262.34415600
21428153

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12-/m1/s1
C16H22O3262.34414100
32796834

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12-/m0/s1
C16H22O3262.34414200
107433031

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/i4D,5D,6D,7D
C16H18D4O3266.36873600

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