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 18 results

Search term: KPRGOTLNGIBVFL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
167751

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19-/m0/s1
C19H26O3302.4079634740
2029605

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3
C19H26O3302.40794101600
32865485

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12?,13-,14-,17-,18-,19-/m0/s1
C19H26O3302.40794100
8080156

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13?,14?,17?,18-,19-/m0/s1
C19H26O3302.40794300
77498922

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13+,14+,17-,18-,19-/m0/s1
C19H26O3302.40793200
8058531

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12?,13?,14?,17?,18-,19-/m0/s1
C19H26O3302.40792100
8119852

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14?,17-,18-,19-/m0/s1
C19H26O3302.40792100
8216176

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13+,14+,17+,18+,19+/m1/s1
C19H26O3302.40792100
10061277

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14+,17+,18-,19+/m0/s1
C19H26O3302.40792100
10061278

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14+,17+,18-,19-/m0/s1
C19H26O3302.40792100
10061279

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17+,18-,19+/m0/s1
C19H26O3302.40792100
10061280

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17+,18-,19-/m0/s1
C19H26O3302.40792100
26636044

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13?,14?,17?,18+,19+/m1/s1
C19H26O3302.40791100
58783086

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19-/m0/s1/i5D2,9D2,10D,12D
C19H20D6O3308.44491100
111313228

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13+,14+,17-,18-,19-/m1/s1
C19H26O3302.40791100
113607253

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19-/m1/s1
C19H26O3302.40791100
114547213

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-14,17,20H,3-9H2,1-2H3/t12-,13-,14-,17-,18-,19+/m0/s1
C19H26O3302.40791100

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