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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 36 results

Search term: KTEXNACQROZXEV (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4976071

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1
C15H20O3248.3175654900
5584841

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13+,15+/m0/s1
C15H20O3248.3175585400
4554343

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1
C15H20O3248.3175494700
4510242

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-
C15H20O3248.31753323200
20126246

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
C15H20O3248.3175292700
4642609

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13?,15?/m0/s1
C15H20O3248.31759500
4478510

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+
C15H20O3248.317581200
21474956

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13?,15?/m0/s1
C15H20O3248.31758600
4530

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3
C15H20O3248.31757400
808791

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12-,13-,15+/m0/s1
C15H20O3248.31756300
97170

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12-,13+,15+/m0/s1
C15H20O3248.31754400
4554345

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15-/m0/s1
C15H20O3248.31753400
23256897

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12?,13+,15+/m0/s1
C15H20O3248.31753300
21470020

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12+,13+,15-/m1/s1
C15H20O3248.31753400
5140628

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12-,13?,15+/m0/s1
C15H20O3248.31753200
58790004

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13+,15?/m0/s1
C15H20O3248.31753300
5036270

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13+,15-/m1/s1
C15H20O3248.31752200
25021348

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12-,13?,15?/m0/s1
C15H20O3248.31752200
26356728

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15-/m1/s1
C15H20O3248.31752300
26563557

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13+,15+/m1/s1
C15H20O3248.31752100
12

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