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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: GVGYEFKIHJTNQZ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
395095

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
C16H19NO4289.3264519394570
2250

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)
C16H19NO4289.32643162400
220721

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14-/m0/s1
C16H19NO4289.32649800
391300

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1
C16H19NO4289.326491400
32675191

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1/i1D3
C16H16D3NO4292.344892200
27523967

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/i1D3
C16H16D3NO4292.34485600
31045466

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12-,13+,14-/m1/s1
C16H19NO4289.32644200
32675192

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1/i1D3,2D,3D,4D,5D,6D
C16H11D8NO4297.375741200
17346402

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12?,13?,14+/m0/s1
C16H19NO4289.32644900
23126944

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12?,13+,14?/m1/s1
C16H19NO4289.32643300
4937755

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m1/s1
C16H19NO4289.32643400
17345104

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1/i1D3
C16H16D3NO4292.34483500
396276

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1/i1-1
C1511CH19NO4288.32712200
49073136

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13+,14+/m1/s1/i1D3,2D,3D,4D,5D,6D
C16H11D8NO4297.37571100
77001579

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12-,13+,14+/m1/s1/i1D3,2D,3D,4D,5D,6D
C16H11D8NO4297.37571100
78430025

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12-,13-,14+/m0/s1
C16H19NO4289.32641100
114396807

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/i2T,3T,4T,5T,6T
C16H14T5NO4299.36691100
27523968

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/i1D3,2D,3D,4D,5D,6D
C16H11D8NO4297.37571200
12

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