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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 25 results

Search term: DHSUYTOATWAVLW (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940183

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1
C16H26N2O5S358.4537615710884
94653

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)
C16H26N2O5S358.453191700
4470583

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m0/s1
C16H26N2O5S358.45304191400
4444109

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11-/m1/s1
C16H26N2O5S358.45304171200
21163452

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t10-,11+/m1/s1
C16H26N2O5S358.453131300
4815612

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+
C16H26N2O5S358.4531146200
20136326

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-
C16H26N2O5S358.45310800
97091862

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11?/m1/s1/i9D2,11D,17+1
C16H23D3N15NO5S362.46499900
9167166

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10?,11-/m0/s1
C16H26N2O5S358.4535300
58779786

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11?/m1/s1
C16H26N2O5S358.4535500
30784817

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t10?,11-/m0/s1
C16H26N2O5S358.4534300
16743906

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+/t10-,11+/m0/s1
C16H26N2O5S358.4533100
64808949

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+/t10-,11-/m0/s1
C16H26N2O5S358.4533300
78432983

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t10-,11-/m1/s1
C16H26N2O5S358.4532400
113063496

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1/i9D2,11D,17+1
C16H23D3N15NO5S362.46492300
60498380

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+/t10-,11-/m1/s1
C16H26N2O5S358.4532100
35518869

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+/t10-,11+/m1/s1
C16H26N2O5S358.4532100
57618153

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+/t10?,11-/m0/s1
C16H26N2O5S358.4532100
58178840

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t10-,11+/m0/s1
C16H26N2O5S358.4532100
114970823

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t10?,11-/m1/s1
C16H26N2O5S358.4531100
12

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