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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 41 results

Search term: ZNJFBWYDHIGLCU (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444606

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
C12H18O3210.26956880154481
4519205

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3+
C12H18O3210.2695365300
23339287

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-
C12H18O3210.2695343500
5584839

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1
C12H18O3210.269531128810
5584836

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1
C12H18O3210.26952426154481
60497968

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/i7D2,8D2,10D
C12H13D5O3215.3003101200
5004836

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3+/t9-,10-/m1/s1
C12H18O3210.26956500
5584833

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m0/s1
C12H18O3210.26955400
48061177

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1/i1D3
C12H15D3O3213.2885600
9847682

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1/i1D3
C12H15D3O3213.2884300
24533681

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1/i7D2,8D2,10D
C12H13D5O3215.30034300
24767617

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/i3D,4D
C12H16D2O3212.28184200
5584837

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m1/s1
C12H17O3209.26214400
5584838

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10+/m1/s1
C12H17O3209.26214500
7970093

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3+/t9-,10+/m1/s1
C12H18O3210.26954100
5584835

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m0/s1
C12H17O3209.26214500
94814

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10-/m1/s1
C12H18O3210.26954200
484866

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
C12H18O3210.26954200
5422607

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10+/m0/s1
C12H18O3210.26954200
9703381

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1/i8D2
C12H16D2O3212.28183200
123

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