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 7 results

Search term: MXTCKNHXBBXULO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13076643

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1
C20H26O2298.4192201700
9954133

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18?,20+/m0/s1
C20H26O2298.41924300
4476635

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6-/t16-,18?,20+/m0/s1
C20H26O2298.41923200
57473357

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6-/t16-,18?,20?/m0/s1
C20H26O2298.41922200
82964271

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m1/s1
C20H26O2298.41922100
114815993

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/t16-,18+,20+/m1/s1
C20H26O2298.41921100

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