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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 42 results

Search term: JLIDBLDQVAYHNE (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444418


Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
C15H20O4264.31691091414259158
4524739

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-
C15H20O4264.31699010300
4524740

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
C15H20O4264.31694216820154
4642916

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1
C15H20O4264.3169262200
558841

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1
C15H20O4264.3169263900
48059010

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i2D3,8D,9D2
C15H14D6O4270.3539151700
253314

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)
C15H20O4264.3169131100
552427

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m0/s1
C15H20O4264.316912900
26332705

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7u
C15H20O4264.3169111000
62817962

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5u,10-7+
C15H20O4264.316971400
26563251

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7u/t15-/m1/s1
C15H20O4264.31696400
50645542

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i3D3/t14?,15-
C15H17D3O4267.33544400
58836071

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5u,10-7-
C15H20O4264.31694200
94269988

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i5+1,6+1
C1313C2H20O4266.30224300
5584824

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7-/t15-/m1/s1
C15H19O4263.30954400
28385

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/t15-/m1/s1
C15H20O4264.31693300
4696769

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5-,10-7+/t15-/m0/s1
C15H20O4264.31693300
5036888

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5-,10-7+/t15-/m1/s1
C15H20O4264.31693300
5324251

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/p-1/b6-5+,10-7+/t15-/m1/s1
C15H19O4263.308963300
123

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