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 16 results

Search term: HFVMLYAGWXSTQI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5254715

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
C19H28O272.42572163820
78208

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3
C19H28O272.4259800
24541414

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15+,16-,17-,18+,19+/m0/s1
C19H28O272.4254100
58782090

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1/i7D2,12D2
C19H24D4O276.44973500
5540895

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16+,17+,18-,19-/m0/s1
C19H28O272.4252100
5540896

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16+,17-,18-,19-/m0/s1
C19H28O272.4252100
5540897

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17+,18-,19-/m0/s1
C19H28O272.4252100
7992699

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15?,16?,17?,18-,19-/m0/s1
C19H28O272.4252100
10165022

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15?,16?,17?,18+,19+/m1/s1
C19H28O272.4252100
26404041

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13?,15?,16?,17?,18-,19-/m0/s1
C19H28O272.4252100
23217803

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15?,16?,17?,18?,19?/m0/s1
C19H28O272.4251100
64872696

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m1/s1
C19H28O272.4251200
107445635

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1/i5D2,11D2,13D
C19H23D5O277.45581300
113606688

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m0/s1
C19H28O272.4251100
114815749

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16+,17-,18-,19+/m0/s1
C19H28O272.4251100

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