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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
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Found 21 results

Search term: VWPOSFSPZNDTMJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35815

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
C17H27NO4309.400610013199823
4258

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3
C17H27NO4309.40062872900
5408902

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15-/m0/s1
C17H27NO4309.4006121500
156373

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14-,15+/m0/s1
C17H27NO4309.4006111200
5408811

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14-,15+/m1/s1
C17H27NO4309.4006101100
38772395

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/i1D3,2D3,3D3
C17H18D9NO4318.4566600
26332038

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15-/m1/s1
C17H27NO4309.40065700
9997678

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m0/s1
C17H27NO4309.40064300
34243105

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15-/m0/s1
C17H27NO4309.40063200
35294010

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1/i1D3,2D3,3D3
C17H18D9NO4318.4562100
5408906

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14-,15-/m1/s1
C17H27NO4309.40062100
9430354

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14?,15?/m0/s1
C17H27NO4309.40062100
5408904

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15+/m0/s1
C17H27NO4309.40062100
5408905

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/p+1/t12-,14-,15-/m1/s1
C17H28NO4310.4081100
5408903

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/p+1/t12-,14+,15+/m0/s1
C17H28NO4310.4081100
5408901

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/p+1/t12-,14+,15-/m0/s1
C17H28NO4310.4081100
114396790

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/i9D2,10D2,12D
C17H22D5NO4314.43141100
12

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