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
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Found 30 results

Search term: KRVXMNNRSSQZJP (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92136

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
C19H30O274.44096874160
133479

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
C19H30O274.44094937230
483778

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3
C19H30O274.4409124100
21230645

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+/m1/s1
C19H30O274.44097600
77498914

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15+,16-,17-,18+,19+/m1/s1
C19H30O274.44093200
77499385

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14?,15+,16-,17-,18+,19+/m1/s1
C19H30O274.44093200
5540893

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-/m0/s1
C19H30O274.44093100
5540894

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17+,18-,19-/m0/s1
C19H30O274.44092100
10167217

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1/i14T
C19H29TO276.4492100
19975352

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13?,14?,15-,16-,17-,18-,19-/m0/s1
C19H30O274.44092195
5540892

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19-/m0/s1
C19H30O274.44092100
26404040

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,19-/m0/s1
C19H30O274.44092100
58779841

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+/m1/s1/i7D2,12D2,14D
C19H25D5O279.47172200
58780751

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14?,15-,16-,17-,18-,19-/m0/s1/i7D2,12D2,14D
C19H25D5O279.47172200
114553402

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+/m0/s1
C19H30O274.44091100
114553403

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m1/s1
C19H30O274.44091100
114810800

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13?,14-,15-,16-,17-,18-,19-/m0/s1/i7D2,12D2,14D
C19H25D5O279.47171400
114815089

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15-,16+,17+,18-,19+/m0/s1
C19H30O274.44091100
12

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